From 231d5424c3a9e00e396f33940a7884b5cd301970 Mon Sep 17 00:00:00 2001 From: SY Wang Date: Mon, 26 Oct 2026 03:26:57 +0800 Subject: [PATCH] Precommit: Prettify CMake files (Part II) --- cmake-format.yaml | 10 +- source/source_base/CMakeLists.txt | 172 ++++--- .../source_base/kernels/test/CMakeLists.txt | 9 +- source/source_base/libm/test/CMakeLists.txt | 12 +- .../module_container/ATen/core/CMakeLists.txt | 4 +- .../ATen/kernels/CMakeLists.txt | 16 +- .../ATen/kernels/test/CMakeLists.txt | 9 +- .../module_container/ATen/ops/CMakeLists.txt | 12 +- .../ATen/ops/test/CMakeLists.txt | 8 +- .../module_container/CMakeLists.txt | 5 +- .../module_container/base/core/CMakeLists.txt | 15 +- .../module_container/test/CMakeLists.txt | 13 +- .../source_base/module_device/CMakeLists.txt | 13 +- .../module_device/test/CMakeLists.txt | 5 +- .../module_grid/test/CMakeLists.txt | 32 +- .../module_mixing/test/CMakeLists.txt | 5 +- .../module_parallel/test/CMakeLists.txt | 132 +++-- source/source_base/test/CMakeLists.txt | 337 ++++++------- .../source_base/test_parallel/CMakeLists.txt | 172 ++++--- source/source_basis/module_ao/CMakeLists.txt | 20 +- .../module_ao/test/CMakeLists.txt | 73 ++- source/source_basis/module_nao/CMakeLists.txt | 16 +- .../module_nao/test/CMakeLists.txt | 237 ++++----- .../module_nao/unittests/CMakeLists.txt | 5 +- source/source_basis/module_pw/CMakeLists.txt | 73 ++- .../module_pw/kernels/test/CMakeLists.txt | 28 +- .../module_pw/test/CMakeLists.txt | 91 +++- .../module_pw/test_gpu/CMakeLists.txt | 8 +- .../module_pw/test_serial/CMakeLists.txt | 45 +- .../module_neighbor/test/CMakeLists.txt | 33 +- .../module_neighlist/test/CMakeLists.txt | 70 +-- .../module_symmetry/test/CMakeLists.txt | 70 +-- source/source_cell/test/CMakeLists.txt | 471 ++++++------------ source/source_cell/test_pw/CMakeLists.txt | 65 ++- source/source_esolver/CMakeLists.txt | 79 ++- source/source_esolver/test/CMakeLists.txt | 21 +- source/source_estate/CMakeLists.txt | 174 ++++--- .../source_estate/kernels/test/CMakeLists.txt | 9 +- .../module_charge/unittests/CMakeLists.txt | 313 ++++++------ .../module_dm/unittests/CMakeLists.txt | 117 +++-- source/source_estate/test/CMakeLists.txt | 261 +++++----- source/source_hamilt/CMakeLists.txt | 14 +- .../source_hamilt/module_gint/CMakeLists.txt | 36 +- .../module_gint/test/CMakeLists.txt | 41 +- .../module_hcontainer/CMakeLists.txt | 29 +- .../module_hcontainer/test/CMakeLists.txt | 130 ++--- .../source_hamilt/module_sccs/CMakeLists.txt | 3 +- .../module_sccs/test/CMakeLists.txt | 79 +-- .../module_surchem/CMakeLists.txt | 24 +- .../module_surchem/test/CMakeLists.txt | 100 ++-- .../source_hamilt/module_vdw/CMakeLists.txt | 3 +- .../module_vdw/test/CMakeLists.txt | 20 +- source/source_hamilt/module_xc/CMakeLists.txt | 64 ++- .../module_xc/kernels/test/CMakeLists.txt | 9 +- .../module_xc/test/CMakeLists.txt | 318 +++++++----- source/source_hamilt/test/CMakeLists.txt | 12 +- source/source_hsolver/CMakeLists.txt | 116 ++--- .../kernels/test/CMakeLists.txt | 18 +- .../module_genelpa/CMakeLists.txt | 9 +- .../module_pexsi/CMakeLists.txt | 3 +- source/source_hsolver/test/CMakeLists.txt | 324 ++++++------ source/source_io/CMakeLists.txt | 286 +++++------ .../module_dos/unittests/CMakeLists.txt | 48 +- .../module_hs/unittests/CMakeLists.txt | 227 ++++----- source/source_io/module_json/CMakeLists.txt | 14 +- .../source_io/module_json/test/CMakeLists.txt | 5 +- .../source_io/module_parameter/CMakeLists.txt | 9 +- .../module_parameter/test/CMakeLists.txt | 16 +- source/source_io/test/CMakeLists.txt | 340 +++++++------ source/source_io/test_serial/CMakeLists.txt | 85 ++-- .../module_bse/test/CMakeLists.txt | 10 +- .../module_deepks/test/CMakeLists.txt | 300 ++++------- .../module_deltaspin/test/CMakeLists.txt | 131 ++--- .../module_dftu/unittests/CMakeLists.txt | 321 +++++------- .../ao_to_mo_transformer/test/CMakeLists.txt | 67 +-- .../module_lr/dm_trans/test/CMakeLists.txt | 54 +- .../ri_benchmark/test/CMakeLists.txt | 13 +- .../source_lcao/module_lr/test/CMakeLists.txt | 180 ++----- .../module_lr/utils/test/CMakeLists.txt | 69 +-- .../module_operator_lcao/test/CMakeLists.txt | 320 +++++------- .../module_exx_symmetry/test/CMakeLists.txt | 23 +- .../module_ri/unittests/CMakeLists.txt | 44 +- .../module_librpa_io/unittests/CMakeLists.txt | 15 +- .../module_rpa/unittests/CMakeLists.txt | 28 +- .../source_lcao/module_rt/test/CMakeLists.txt | 209 +++----- source/source_lcao/test/CMakeLists.txt | 96 ++-- source/source_md/test/CMakeLists.txt | 139 ++---- source/source_psi/CMakeLists.txt | 24 +- source/source_psi/test/CMakeLists.txt | 28 +- .../source_pw/module_dfpt/test/CMakeLists.txt | 122 ++--- .../module_dfpt/test_serial/CMakeLists.txt | 200 +++----- .../module_ofdft/test/CMakeLists.txt | 6 +- .../module_proj/unittests/CMakeLists.txt | 24 +- source/source_pw/module_pwdft/CMakeLists.txt | 1 - .../module_pwdft/kernels/test/CMakeLists.txt | 57 +-- .../module_pwdft/test/CMakeLists.txt | 195 ++++---- .../module_stodft/test/CMakeLists.txt | 82 ++- source/source_relax/unittests/CMakeLists.txt | 426 ++++++---------- 98 files changed, 3854 insertions(+), 4972 deletions(-) diff --git a/cmake-format.yaml b/cmake-format.yaml index a6a7d784319..a3ba83e98eb 100644 --- a/cmake-format.yaml +++ b/cmake-format.yaml @@ -1,4 +1,12 @@ # Do not prettify comments -# Workaround due to cmake-format bug; should use "--enable-markup=false" in args instead markup: enable_markup: false + +# Make self-defined testing helper happy +parse: + additional_commands: + addtest: + kwargs: + TARGET: 1 + SOURCES: '+' + LIBS: '*' diff --git a/source/source_base/CMakeLists.txt b/source/source_base/CMakeLists.txt index ccf5aae9077..1b8eef37033 100644 --- a/source/source_base/CMakeLists.txt +++ b/source/source_base/CMakeLists.txt @@ -1,91 +1,85 @@ -if (ENABLE_ABACUS_LIBM) -list (APPEND LIBM_SRC - libm/branred.cpp - libm/cexp.cpp - libm/exp.cpp - libm/sincos.cpp -) +if(ENABLE_ABACUS_LIBM) + list(APPEND LIBM_SRC libm/branred.cpp libm/cexp.cpp libm/exp.cpp + libm/sincos.cpp) endif() add_library( - base - OBJECT - assoc_laguerre.cpp - module_external/blas_connector_base.cpp - module_external/blas_connector_vector.cpp - module_external/blas_connector_matrix.cpp - clebsch_gordan_coeff.cpp - complexarray.cpp - complexmatrix.cpp - element_basis_index.cpp - inverse_matrix.cpp - gather_math_lib_info.cpp - global_file.cpp - global_function.cpp - glob_fn_ddotreal.cpp - global_variable.cpp - intarray.cpp - math_integral.cpp - math_lebedev_laikov.cpp - math_polyint.cpp - math_sphbes.cpp - math_erf_complex.cpp - math_ylmreal.cpp - math_bspline.cpp - math_chebyshev.cpp - mathzone_add1.cpp - matrix.cpp - matrix3.cpp - memory_recorder.cpp - mymath.cpp - opt_cg.cpp - opt_dcsrch.cpp - opt_tn.cpp - output.cpp - para_gemm.cpp - realarray.cpp - sph_bessel_rec_d1.cpp - sph_bessel_rec_d2.cpp - timer.cpp - tool_check.cpp - tool_quit.cpp - tool_title.cpp - ylm.cpp - parallel_common.cpp - parallel_cell.cpp - parallel_global.cpp - parallel_comm.cpp - parallel_reduce.cpp - parallel_device.cpp - parallel_grid.cpp - sph_bessel_tf.cpp - cubic_spline.cpp - parallel_2d.cpp - module_out/binstream.cpp - module_out/filename.cpp - module_out/sparse_matrix.cpp - module_out/file_reader.cpp - module_out/csr_reader.cpp - module_out/read_exit_file.cpp - module_out/orb_io.cpp - module_mixing/mixing_data.cpp - module_mixing/mixing.cpp - module_mixing/plain_mixing.cpp - module_mixing/pulay_mixing.cpp - module_mixing/broyden_mixing.cpp - module_parallel/para_world.cpp - module_parallel/para_band_output.cpp - module_parallel/para_collection.cpp - module_parallel/para_kmesh_world.cpp - module_parallel/para_pw_world.cpp - module_parallel/para_diag_world.cpp - module_parallel/para_rgrid_world.cpp - module_parallel/para_bgroup_world.cpp - module_parallel/para_matrix_world.cpp - module_parallel/para_mpi_func.cpp - module_parallel/para_setup.cpp - module_parallel/para_bridge.cpp - ${LIBM_SRC} -) + base OBJECT + assoc_laguerre.cpp + module_external/blas_connector_base.cpp + module_external/blas_connector_vector.cpp + module_external/blas_connector_matrix.cpp + clebsch_gordan_coeff.cpp + complexarray.cpp + complexmatrix.cpp + element_basis_index.cpp + inverse_matrix.cpp + gather_math_lib_info.cpp + global_file.cpp + global_function.cpp + glob_fn_ddotreal.cpp + global_variable.cpp + intarray.cpp + math_integral.cpp + math_lebedev_laikov.cpp + math_polyint.cpp + math_sphbes.cpp + math_erf_complex.cpp + math_ylmreal.cpp + math_bspline.cpp + math_chebyshev.cpp + mathzone_add1.cpp + matrix.cpp + matrix3.cpp + memory_recorder.cpp + mymath.cpp + opt_cg.cpp + opt_dcsrch.cpp + opt_tn.cpp + output.cpp + para_gemm.cpp + realarray.cpp + sph_bessel_rec_d1.cpp + sph_bessel_rec_d2.cpp + timer.cpp + tool_check.cpp + tool_quit.cpp + tool_title.cpp + ylm.cpp + parallel_common.cpp + parallel_cell.cpp + parallel_global.cpp + parallel_comm.cpp + parallel_reduce.cpp + parallel_device.cpp + parallel_grid.cpp + sph_bessel_tf.cpp + cubic_spline.cpp + parallel_2d.cpp + module_out/binstream.cpp + module_out/filename.cpp + module_out/sparse_matrix.cpp + module_out/file_reader.cpp + module_out/csr_reader.cpp + module_out/read_exit_file.cpp + module_out/orb_io.cpp + module_mixing/mixing_data.cpp + module_mixing/mixing.cpp + module_mixing/plain_mixing.cpp + module_mixing/pulay_mixing.cpp + module_mixing/broyden_mixing.cpp + module_parallel/para_world.cpp + module_parallel/para_band_output.cpp + module_parallel/para_collection.cpp + module_parallel/para_kmesh_world.cpp + module_parallel/para_pw_world.cpp + module_parallel/para_diag_world.cpp + module_parallel/para_rgrid_world.cpp + module_parallel/para_bgroup_world.cpp + module_parallel/para_matrix_world.cpp + module_parallel/para_mpi_func.cpp + module_parallel/para_setup.cpp + module_parallel/para_bridge.cpp + ${LIBM_SRC}) target_link_libraries(base PUBLIC container) add_subdirectory(module_container) @@ -95,7 +89,9 @@ if(ENABLE_COVERAGE) endif() if(BUILD_TESTING) - if(ENABLE_MPI) #Zhang Xiaoyang: A temporary solution. Please classify the serial and parrallel tests later. 2024-7-8 + if(ENABLE_MPI) + + #Zhang Xiaoyang: A temporary solution. Please classify the serial and parrallel tests later. 2024-7-8 add_subdirectory(test) add_subdirectory(test_parallel) add_subdirectory(kernels/test) @@ -103,7 +99,7 @@ if(BUILD_TESTING) add_subdirectory(module_device/test) add_subdirectory(module_grid/test) add_subdirectory(module_parallel/test) - if (ENABLE_ABACUS_LIBM) + if(ENABLE_ABACUS_LIBM) add_subdirectory(libm/test) endif() endif() diff --git a/source/source_base/kernels/test/CMakeLists.txt b/source/source_base/kernels/test/CMakeLists.txt index 9578b10a6fc..b48bc57e0a3 100644 --- a/source/source_base/kernels/test/CMakeLists.txt +++ b/source/source_base/kernels/test/CMakeLists.txt @@ -1,7 +1,6 @@ abacus_disable_feature_definitions(__MPI) -AddTest( - TARGET MODULE_BASE_KERNELS_Unittests - LIBS parameter base device - SOURCES math_ylm_op_test.cpp math_kernel_test.cpp -) +addtest( + TARGET MODULE_BASE_KERNELS_Unittests + LIBS parameter base device + SOURCES math_ylm_op_test.cpp math_kernel_test.cpp) diff --git a/source/source_base/libm/test/CMakeLists.txt b/source/source_base/libm/test/CMakeLists.txt index 8454ca0e2d8..4aa87242337 100644 --- a/source/source_base/libm/test/CMakeLists.txt +++ b/source/source_base/libm/test/CMakeLists.txt @@ -1,11 +1,5 @@ abacus_disable_feature_definitions(__MPI) -AddTest( - TARGET MODULE_BASE_LIBM_UTs - SOURCES libm_test.cpp - ../branred.cpp - ../cexp.cpp - ../exp.cpp - ../sincos.cpp -) - +addtest(TARGET MODULE_BASE_LIBM_UTs + SOURCES libm_test.cpp ../branred.cpp ../cexp.cpp ../exp.cpp + ../sincos.cpp) diff --git a/source/source_base/module_container/ATen/core/CMakeLists.txt b/source/source_base/module_container/ATen/core/CMakeLists.txt index 7396b17dacf..7b1e6b10557 100644 --- a/source/source_base/module_container/ATen/core/CMakeLists.txt +++ b/source/source_base/module_container/ATen/core/CMakeLists.txt @@ -1,2 +1,4 @@ file(GLOB ATen_CORE_SRCS "*.cpp") -set(ATen_CPU_SRCS ${ATen_CPU_SRCS} ${ATen_CORE_SRCS} PARENT_SCOPE) \ No newline at end of file +set(ATen_CPU_SRCS + ${ATen_CPU_SRCS} ${ATen_CORE_SRCS} + PARENT_SCOPE) diff --git a/source/source_base/module_container/ATen/kernels/CMakeLists.txt b/source/source_base/module_container/ATen/kernels/CMakeLists.txt index 9faecec7789..af7aa30a286 100644 --- a/source/source_base/module_container/ATen/kernels/CMakeLists.txt +++ b/source/source_base/module_container/ATen/kernels/CMakeLists.txt @@ -1,16 +1,22 @@ file(GLOB ATen_KERNELS_SRCS "*.cpp") if(USE_CUDA) - file(GLOB ATen_KERNELS_CUDA_SRCS "cuda/*.cu") - set(ATen_CUDA_SRCS ${ATen_CUDA_SRCS} ${ATen_KERNELS_CUDA_SRCS} PARENT_SCOPE) + file(GLOB ATen_KERNELS_CUDA_SRCS "cuda/*.cu") + set(ATen_CUDA_SRCS + ${ATen_CUDA_SRCS} ${ATen_KERNELS_CUDA_SRCS} + PARENT_SCOPE) endif() if(USE_ROCM) - file(GLOB ATen_KERNELS_ROCM_SRCS "rocm/*.hip.cu") - set(ATen_ROCM_SRCS ${ATen_ROCM_SRCS} ${ATen_KERNELS_ROCM_SRCS} PARENT_SCOPE) + file(GLOB ATen_KERNELS_ROCM_SRCS "rocm/*.hip.cu") + set(ATen_ROCM_SRCS + ${ATen_ROCM_SRCS} ${ATen_KERNELS_ROCM_SRCS} + PARENT_SCOPE) endif() -set(ATen_CPU_SRCS ${ATen_CPU_SRCS} ${ATen_KERNELS_SRCS} PARENT_SCOPE) +set(ATen_CPU_SRCS + ${ATen_CPU_SRCS} ${ATen_KERNELS_SRCS} + PARENT_SCOPE) if(BUILD_TESTING) if(ENABLE_MPI) diff --git a/source/source_base/module_container/ATen/kernels/test/CMakeLists.txt b/source/source_base/module_container/ATen/kernels/test/CMakeLists.txt index 425e5044382..ea14836ce20 100644 --- a/source/source_base/module_container/ATen/kernels/test/CMakeLists.txt +++ b/source/source_base/module_container/ATen/kernels/test/CMakeLists.txt @@ -1,8 +1,7 @@ -AddTest( +addtest( TARGET MODULE_BASE_container_kernels_uts LIBS parameter - SOURCES blas_test.cpp lapack_test.cpp - memory_test.cpp linalg_test.cpp -) + SOURCES blas_test.cpp lapack_test.cpp memory_test.cpp linalg_test.cpp) -target_link_libraries(MODULE_BASE_container_kernels_uts PRIVATE container base device) +target_link_libraries(MODULE_BASE_container_kernels_uts PRIVATE container base + device) diff --git a/source/source_base/module_container/ATen/ops/CMakeLists.txt b/source/source_base/module_container/ATen/ops/CMakeLists.txt index a468f6f428a..d0f7dd59179 100644 --- a/source/source_base/module_container/ATen/ops/CMakeLists.txt +++ b/source/source_base/module_container/ATen/ops/CMakeLists.txt @@ -1,9 +1,11 @@ file(GLOB ATen_OPS_SRCS "*.cpp") -set(ATen_CPU_SRCS ${ATen_CPU_SRCS} ${ATen_OPS_SRCS} PARENT_SCOPE) +set(ATen_CPU_SRCS + ${ATen_CPU_SRCS} ${ATen_OPS_SRCS} + PARENT_SCOPE) if(BUILD_TESTING) - if(ENABLE_MPI) - add_subdirectory(test) - endif() -endif() \ No newline at end of file + if(ENABLE_MPI) + add_subdirectory(test) + endif() +endif() diff --git a/source/source_base/module_container/ATen/ops/test/CMakeLists.txt b/source/source_base/module_container/ATen/ops/test/CMakeLists.txt index ccccb761880..562699925e4 100644 --- a/source/source_base/module_container/ATen/ops/test/CMakeLists.txt +++ b/source/source_base/module_container/ATen/ops/test/CMakeLists.txt @@ -1,7 +1,7 @@ -AddTest( +addtest( TARGET MODULE_BASE_container_ops_uts LIBS parameter - SOURCES einsum_op_test.cpp linalg_op_test.cpp ../../kernels/lapack.cpp -) + SOURCES einsum_op_test.cpp linalg_op_test.cpp ../../kernels/lapack.cpp) -target_link_libraries(MODULE_BASE_container_ops_uts PRIVATE container base device) +target_link_libraries(MODULE_BASE_container_ops_uts PRIVATE container base + device) diff --git a/source/source_base/module_container/CMakeLists.txt b/source/source_base/module_container/CMakeLists.txt index 14b5c57c520..aedef550ed4 100644 --- a/source/source_base/module_container/CMakeLists.txt +++ b/source/source_base/module_container/CMakeLists.txt @@ -21,8 +21,9 @@ endif() add_library(container STATIC ${ATen_CPU_SRCS} ${ATen_CUDA_SRCS}) -target_link_libraries(container PUBLIC - ${ATen_CPU_DEPENDENCY_LIBS} ${ATen_CUDA_DEPENDENCY_LIBS} ${ATen_ROCM_DEPENDENCY_LIBS}) +target_link_libraries( + container PUBLIC ${ATen_CPU_DEPENDENCY_LIBS} ${ATen_CUDA_DEPENDENCY_LIBS} + ${ATen_ROCM_DEPENDENCY_LIBS}) if(ENABLE_COVERAGE) add_coverage(container) diff --git a/source/source_base/module_container/base/core/CMakeLists.txt b/source/source_base/module_container/base/core/CMakeLists.txt index 42119b2ffcb..ca7dbf46ae9 100644 --- a/source/source_base/module_container/base/core/CMakeLists.txt +++ b/source/source_base/module_container/base/core/CMakeLists.txt @@ -1,12 +1,9 @@ -set(BASE_CORE_CPU_SRCS - base/core/refcount.cpp - base/core/cpu_allocator.cpp -) +set(BASE_CORE_CPU_SRCS base/core/refcount.cpp base/core/cpu_allocator.cpp) -if (USE_CUDA OR USE_ROCM) - list(APPEND BASE_CORE_CPU_SRCS - base/core/gpu_allocator.cpp - ) +if(USE_CUDA OR USE_ROCM) + list(APPEND BASE_CORE_CPU_SRCS base/core/gpu_allocator.cpp) endif() -set(ATen_CPU_SRCS ${ATen_CPU_SRCS} ${BASE_CORE_CPU_SRCS} PARENT_SCOPE) \ No newline at end of file +set(ATen_CPU_SRCS + ${ATen_CPU_SRCS} ${BASE_CORE_CPU_SRCS} + PARENT_SCOPE) diff --git a/source/source_base/module_container/test/CMakeLists.txt b/source/source_base/module_container/test/CMakeLists.txt index 2b7974724db..092077c3632 100644 --- a/source/source_base/module_container/test/CMakeLists.txt +++ b/source/source_base/module_container/test/CMakeLists.txt @@ -1,9 +1,12 @@ abacus_disable_feature_definitions(__MPI) -AddTest( +addtest( TARGET MODULE_BASE_CONTAINER_Unittests LIBS parameter container base device - SOURCES tensor_test.cpp tensor_shape_test.cpp allocator_test.cpp - tensor_buffer_test.cpp tensor_map_test.cpp - tensor_utils_test.cpp tensor_accessor_test.cpp -) + SOURCES tensor_test.cpp + tensor_shape_test.cpp + allocator_test.cpp + tensor_buffer_test.cpp + tensor_map_test.cpp + tensor_utils_test.cpp + tensor_accessor_test.cpp) diff --git a/source/source_base/module_device/CMakeLists.txt b/source/source_base/module_device/CMakeLists.txt index 0aede5e57b2..39b8675a18b 100644 --- a/source/source_base/module_device/CMakeLists.txt +++ b/source/source_base/module_device/CMakeLists.txt @@ -9,14 +9,13 @@ # ) # endif() - # if(USE_ROCM) # hip_add_library(module_device_rocm STATIC # rocm/memory_op.hip.cu # ) # target_link_libraries( -# device -# module_device_rocm +# device +# module_device_rocm # hip::host # hip::device # hip::hipfft @@ -29,16 +28,16 @@ # if(USE_CUDA) # target_link_libraries( -# device +# device # ) # elseif(USE_ROCM) # target_link_libraries( -# device -# device_rocm +# device +# device_rocm # hip::host # hip::device # hip::hipfft # roc::hipblas # roc::hipsolver # ) -# endif() \ No newline at end of file +# endif() diff --git a/source/source_base/module_device/test/CMakeLists.txt b/source/source_base/module_device/test/CMakeLists.txt index 78bdef3d5ff..29853e2e8b2 100644 --- a/source/source_base/module_device/test/CMakeLists.txt +++ b/source/source_base/module_device/test/CMakeLists.txt @@ -1,5 +1,4 @@ -AddTest( +addtest( TARGET MODULE_BASE_DEVICE_Unittests LIBS parameter base device - SOURCES memory_test.cpp device_test.cpp -) \ No newline at end of file + SOURCES memory_test.cpp device_test.cpp) diff --git a/source/source_base/module_grid/test/CMakeLists.txt b/source/source_base/module_grid/test/CMakeLists.txt index 9f326729ecd..33abc8843c9 100644 --- a/source/source_base/module_grid/test/CMakeLists.txt +++ b/source/source_base/module_grid/test/CMakeLists.txt @@ -1,29 +1,15 @@ abacus_disable_feature_definitions(__MPI) -AddTest( - TARGET MODULE_BASE_GRID_test_delley - SOURCES test_delley.cpp - ../delley.cpp - ../../ylm.cpp -) +addtest(TARGET MODULE_BASE_GRID_test_delley SOURCES test_delley.cpp + ../delley.cpp ../../ylm.cpp) -AddTest( - TARGET MODULE_BASE_GRID_test_radial - SOURCES test_radial.cpp - ../radial.cpp -) +addtest(TARGET MODULE_BASE_GRID_test_radial SOURCES test_radial.cpp + ../radial.cpp) -AddTest( - TARGET MODULE_BASE_GRID_test_partition - SOURCES test_partition.cpp - ../partition.cpp - ../radial.cpp - ../delley.cpp -) +addtest(TARGET MODULE_BASE_GRID_test_partition + SOURCES test_partition.cpp ../partition.cpp ../radial.cpp ../delley.cpp) -AddTest( +addtest( TARGET MODULE_BASE_GRID_test_batch - SOURCES test_batch.cpp - ../batch.cpp - LIBS -) + SOURCES test_batch.cpp ../batch.cpp + LIBS) diff --git a/source/source_base/module_mixing/test/CMakeLists.txt b/source/source_base/module_mixing/test/CMakeLists.txt index b0034d80cc9..1ffd020cd1b 100644 --- a/source/source_base/module_mixing/test/CMakeLists.txt +++ b/source/source_base/module_mixing/test/CMakeLists.txt @@ -1,6 +1,5 @@ abacus_disable_feature_definitions(__MPI) -AddTest( +addtest( TARGET MODULE_BASE_MIXING_unittests LIBS parameter base device - SOURCES mixing_test.cpp -) \ No newline at end of file + SOURCES mixing_test.cpp) diff --git a/source/source_base/module_parallel/test/CMakeLists.txt b/source/source_base/module_parallel/test/CMakeLists.txt index 8691bf3eab7..ea64eac87d2 100644 --- a/source/source_base/module_parallel/test/CMakeLists.txt +++ b/source/source_base/module_parallel/test/CMakeLists.txt @@ -1,101 +1,87 @@ abacus_disable_feature_definitions(__MPI) -AddTest( - TARGET MODULE_BASE_para_world - SOURCES para_world_test.cpp ../para_world.cpp -) +addtest(TARGET MODULE_BASE_para_world SOURCES para_world_test.cpp + ../para_world.cpp) -AddTest( - TARGET MODULE_BASE_para_collection - SOURCES para_collection_test.cpp ../para_collection.cpp ../para_world.cpp ../para_kmesh_world.cpp -) +addtest(TARGET MODULE_BASE_para_collection + SOURCES para_collection_test.cpp ../para_collection.cpp + ../para_world.cpp ../para_kmesh_world.cpp) -AddTest( - TARGET MODULE_BASE_para_kmesh_world - SOURCES para_kmesh_world_test.cpp ../para_kmesh_world.cpp ../para_world.cpp -) +addtest(TARGET MODULE_BASE_para_kmesh_world + SOURCES para_kmesh_world_test.cpp ../para_kmesh_world.cpp + ../para_world.cpp) -AddTest( - TARGET MODULE_BASE_para_pw_world - SOURCES para_pw_world_test.cpp ../para_pw_world.cpp ../para_world.cpp -) +addtest(TARGET MODULE_BASE_para_pw_world + SOURCES para_pw_world_test.cpp ../para_pw_world.cpp ../para_world.cpp) -AddTest( - TARGET MODULE_BASE_para_diag_world - SOURCES para_diag_world_test.cpp ../para_diag_world.cpp ../para_world.cpp -) +addtest(TARGET MODULE_BASE_para_diag_world + SOURCES para_diag_world_test.cpp ../para_diag_world.cpp + ../para_world.cpp) -AddTest( - TARGET MODULE_BASE_para_rgrid_world - SOURCES para_rgrid_world_test.cpp ../para_rgrid_world.cpp ../para_world.cpp -) +addtest(TARGET MODULE_BASE_para_rgrid_world + SOURCES para_rgrid_world_test.cpp ../para_rgrid_world.cpp + ../para_world.cpp) -AddTest( - TARGET MODULE_BASE_para_bgroup_world - SOURCES para_bgroup_world_test.cpp ../para_bgroup_world.cpp ../para_world.cpp -) +addtest(TARGET MODULE_BASE_para_bgroup_world + SOURCES para_bgroup_world_test.cpp ../para_bgroup_world.cpp + ../para_world.cpp) -AddTest( - TARGET MODULE_BASE_para_matrix_world - SOURCES para_matrix_world_test.cpp ../para_matrix_world.cpp ../para_world.cpp -) +addtest(TARGET MODULE_BASE_para_matrix_world + SOURCES para_matrix_world_test.cpp ../para_matrix_world.cpp + ../para_world.cpp) -AddTest( - TARGET MODULE_BASE_para_mpi_func - SOURCES para_mpi_func_test.cpp ../para_mpi_func.cpp ../para_world.cpp -) +addtest(TARGET MODULE_BASE_para_mpi_func + SOURCES para_mpi_func_test.cpp ../para_mpi_func.cpp ../para_world.cpp) -AddTest( - TARGET MODULE_BASE_para_setup - SOURCES para_setup_test.cpp ../para_setup.cpp ../para_world.cpp ../para_collection.cpp -) +addtest(TARGET MODULE_BASE_para_setup + SOURCES para_setup_test.cpp ../para_setup.cpp ../para_world.cpp + ../para_collection.cpp) -AddTest( +addtest( TARGET MODULE_BASE_para_world_mpi LIBS MPI::MPI_CXX - SOURCES para_world_mpi_test.cpp ../para_world.cpp -) + SOURCES para_world_mpi_test.cpp ../para_world.cpp) target_compile_definitions(MODULE_BASE_para_world_mpi PRIVATE __MPI) -AddTest( +addtest( TARGET MODULE_BASE_para_collection_mpi LIBS MPI::MPI_CXX - SOURCES para_collection_mpi_test.cpp ../para_collection.cpp ../para_world.cpp ../para_kmesh_world.cpp -) + SOURCES para_collection_mpi_test.cpp ../para_collection.cpp ../para_world.cpp + ../para_kmesh_world.cpp) target_compile_definitions(MODULE_BASE_para_collection_mpi PRIVATE __MPI) -AddTest( +addtest( TARGET MODULE_BASE_para_mpi_func_mpi LIBS MPI::MPI_CXX - SOURCES para_mpi_func_mpi_test.cpp ../para_mpi_func.cpp ../para_world.cpp -) + SOURCES para_mpi_func_mpi_test.cpp ../para_mpi_func.cpp ../para_world.cpp) target_compile_definitions(MODULE_BASE_para_mpi_func_mpi PRIVATE __MPI) -AddTest( +addtest( TARGET MODULE_BASE_para_setup_mpi LIBS MPI::MPI_CXX - SOURCES para_setup_mpi_test.cpp ../para_setup.cpp ../para_world.cpp ../para_collection.cpp -) + SOURCES para_setup_mpi_test.cpp ../para_setup.cpp ../para_world.cpp + ../para_collection.cpp) target_compile_definitions(MODULE_BASE_para_setup_mpi PRIVATE __MPI) -abacus_copy_test_files( - para_world_mpi_test.sh - para_collection_mpi_test.sh - para_mpi_func_mpi_test.sh - para_setup_mpi_test.sh) +abacus_copy_test_files(para_world_mpi_test.sh para_collection_mpi_test.sh + para_mpi_func_mpi_test.sh para_setup_mpi_test.sh) find_program(BASH bash) -add_test(NAME MODULE_BASE_para_world_mpi_test - COMMAND ${BASH} para_world_mpi_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) -add_test(NAME MODULE_BASE_para_collection_mpi_test - COMMAND ${BASH} para_collection_mpi_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) -add_test(NAME MODULE_BASE_para_mpi_func_mpi_test - COMMAND ${BASH} para_mpi_func_mpi_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) -add_test(NAME MODULE_BASE_para_setup_mpi_test - COMMAND ${BASH} para_setup_mpi_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_BASE_para_world_mpi_test + COMMAND ${BASH} para_world_mpi_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +add_test( + NAME MODULE_BASE_para_collection_mpi_test + COMMAND ${BASH} para_collection_mpi_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +add_test( + NAME MODULE_BASE_para_mpi_func_mpi_test + COMMAND ${BASH} para_mpi_func_mpi_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +add_test( + NAME MODULE_BASE_para_setup_mpi_test + COMMAND ${BASH} para_setup_mpi_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) diff --git a/source/source_base/test/CMakeLists.txt b/source/source_base/test/CMakeLists.txt index 4bff3c97cbd..c9c0a3f8500 100644 --- a/source/source_base/test/CMakeLists.txt +++ b/source/source_base/test/CMakeLists.txt @@ -1,283 +1,278 @@ abacus_disable_feature_definitions(__MPI) abacus_copy_test_files(data) -AddTest( +addtest( TARGET MODULE_BASE_additional_coverage LIBS parameter base device container - SOURCES additional_coverage_test.cpp -) -AddTest( + SOURCES additional_coverage_test.cpp) +addtest( TARGET MODULE_BASE_blas_connector - LIBS parameter base device - SOURCES blas_connector_test.cpp blas_connector_additional_test.cpp -) -AddTest( + LIBS parameter base device + SOURCES blas_connector_test.cpp blas_connector_additional_test.cpp) +addtest( TARGET MODULE_BASE_atom_in LIBS parameter - SOURCES atom_in_test.cpp -) -AddTest( + SOURCES atom_in_test.cpp) +addtest( TARGET MODULE_BASE_timer LIBS parameter - SOURCES timer_test.cpp ../timer.cpp ../global_variable.cpp -) -AddTest( + SOURCES timer_test.cpp ../timer.cpp ../global_variable.cpp) +addtest( TARGET MODULE_BASE_tool_quit LIBS parameter - SOURCES tool_quit_test.cpp ../tool_quit.cpp ../global_variable.cpp ../global_file.cpp ../global_function.cpp ../memory_recorder.cpp ../timer.cpp -) -AddTest( + SOURCES tool_quit_test.cpp + ../tool_quit.cpp + ../global_variable.cpp + ../global_file.cpp + ../global_function.cpp + ../memory_recorder.cpp + ../timer.cpp) +addtest( TARGET MODULE_BASE_tool_check LIBS parameter - SOURCES tool_check_test.cpp ../tool_check.cpp ../tool_quit.cpp ../global_variable.cpp ../global_file.cpp ../global_function.cpp ../memory_recorder.cpp ../timer.cpp -) -AddTest( - TARGET MODULE_BASE_memory - SOURCES memory_test.cpp ../memory_recorder.cpp ../parallel_reduce.cpp -) -ADDTest( + SOURCES tool_check_test.cpp + ../tool_check.cpp + ../tool_quit.cpp + ../global_variable.cpp + ../global_file.cpp + ../global_function.cpp + ../memory_recorder.cpp + ../timer.cpp) +addtest(TARGET MODULE_BASE_memory + SOURCES memory_test.cpp ../memory_recorder.cpp ../parallel_reduce.cpp) +addtest( TARGET MODULE_BASE_global_function LIBS parameter - SOURCES global_function_test.cpp ../global_function.cpp ../tool_quit.cpp ../global_variable.cpp ../global_file.cpp ../memory_recorder.cpp ../timer.cpp -) -AddTest( + SOURCES global_function_test.cpp + ../global_function.cpp + ../tool_quit.cpp + ../global_variable.cpp + ../global_file.cpp + ../memory_recorder.cpp + ../timer.cpp) +addtest( TARGET MODULE_BASE_vector3 LIBS parameter - SOURCES vector3_test.cpp -) -AddTest( + SOURCES vector3_test.cpp) +addtest( TARGET MODULE_BASE_matrix3 - LIBS parameter base device - SOURCES matrix3_test.cpp -) -AddTest( + LIBS parameter base device + SOURCES matrix3_test.cpp) +addtest( TARGET MODULE_BASE_intarray LIBS parameter - SOURCES intarray_test.cpp ../intarray.cpp -) -AddTest( + SOURCES intarray_test.cpp ../intarray.cpp) +addtest( TARGET MODULE_BASE_realarray LIBS parameter - SOURCES realarray_test.cpp ../realarray.cpp -) -AddTest( - TARGET MODULE_BASE_matrix - LIBS parameter base device - SOURCES matrix_test.cpp -) -AddTest( + SOURCES realarray_test.cpp ../realarray.cpp) +addtest( + TARGET MODULE_BASE_matrix + LIBS parameter base device + SOURCES matrix_test.cpp) +addtest( TARGET MODULE_BASE_complexarray LIBS parameter - SOURCES complexarray_test.cpp ../complexarray.cpp ../tool_quit.cpp ../global_variable.cpp ../global_file.cpp ../global_function.cpp ../memory_recorder.cpp ../timer.cpp -) -AddTest( + SOURCES complexarray_test.cpp + ../complexarray.cpp + ../tool_quit.cpp + ../global_variable.cpp + ../global_file.cpp + ../global_function.cpp + ../memory_recorder.cpp + ../timer.cpp) +addtest( TARGET MODULE_BASE_complexmatrix - LIBS parameter base device - SOURCES complexmatrix_test.cpp -) -AddTest( + LIBS parameter base device + SOURCES complexmatrix_test.cpp) +addtest( TARGET MODULE_BASE_integral LIBS parameter - SOURCES math_integral_test.cpp ../math_integral.cpp -) -AddTest( + SOURCES math_integral_test.cpp ../math_integral.cpp) +addtest( TARGET MODULE_BASE_sph_bessel_recursive LIBS parameter - SOURCES sph_bessel_rec_test.cpp ../sph_bessel_rec_d1.cpp ../sph_bessel_rec_d2.cpp ../memory_recorder.cpp ../global_variable.cpp -) -AddTest( + SOURCES sph_bessel_rec_test.cpp ../sph_bessel_rec_d1.cpp + ../sph_bessel_rec_d2.cpp ../memory_recorder.cpp + ../global_variable.cpp) +addtest( TARGET MODULE_BASE_ylmreal - LIBS parameter base device - SOURCES math_ylmreal_test.cpp ../libm/branred.cpp ../libm/sincos.cpp -) -AddTest( + LIBS parameter base device + SOURCES math_ylmreal_test.cpp ../libm/branred.cpp ../libm/sincos.cpp) +addtest( TARGET MODULE_BASE_math_sphbes LIBS parameter - SOURCES math_sphbes_test.cpp ../math_sphbes.cpp ../timer.cpp -) -AddTest( + SOURCES math_sphbes_test.cpp ../math_sphbes.cpp ../timer.cpp) +addtest( TARGET MODULE_BASE_mathzone - LIBS parameter base device - SOURCES mathzone_test.cpp -) -AddTest( + LIBS parameter base device + SOURCES mathzone_test.cpp) +addtest( TARGET MODULE_BASE_mathzone_add1 - LIBS parameter base device - SOURCES mathzone_add1_test.cpp -) -AddTest( + LIBS parameter base device + SOURCES mathzone_add1_test.cpp) +addtest( TARGET MODULE_BASE_math_polyint LIBS parameter - SOURCES math_polyint_test.cpp ../math_polyint.cpp ../realarray.cpp ../timer.cpp -) -AddTest( + SOURCES math_polyint_test.cpp ../math_polyint.cpp ../realarray.cpp + ../timer.cpp) +addtest( TARGET MODULE_BASE_gram_schmidt_orth - LIBS parameter base device - SOURCES gram_schmidt_orth_test.cpp -) -AddTest( + LIBS parameter base device + SOURCES gram_schmidt_orth_test.cpp) +addtest( TARGET MODULE_BASE_math_bspline LIBS parameter - SOURCES math_bspline_test.cpp ../math_bspline.cpp -) -AddTest( + SOURCES math_bspline_test.cpp ../math_bspline.cpp) +addtest( TARGET MODULE_BASE_inverse_matrix - LIBS parameter base device - SOURCES inverse_matrix_test.cpp -) -AddTest( + LIBS parameter base device + SOURCES inverse_matrix_test.cpp) +addtest( TARGET MODULE_BASE_mymath LIBS parameter - SOURCES mymath_test.cpp ../mymath.cpp ../timer.cpp -) -AddTest( + SOURCES mymath_test.cpp ../mymath.cpp ../timer.cpp) +addtest( TARGET MODULE_BASE_container LIBS parameter - SOURCES container_op_test.cpp ../container_operator.h -) + SOURCES container_op_test.cpp ../container_operator.h) -AddTest( +addtest( TARGET MODULE_BASE_math_chebyshev - LIBS parameter base device container - SOURCES math_chebyshev_test.cpp -) + LIBS parameter base device container + SOURCES math_chebyshev_test.cpp) -AddTest( +addtest( TARGET MODULE_BASE_lapack_connector - LIBS parameter base device - SOURCES lapack_connector_test.cpp -) + LIBS parameter base device + SOURCES lapack_connector_test.cpp) -AddTest( +addtest( TARGET MODULE_BASE_opt_cg - LIBS parameter base device - SOURCES opt_cg_test.cpp opt_test_tools.cpp mpi_test_main.cpp -) + LIBS parameter base device + SOURCES opt_cg_test.cpp opt_test_tools.cpp mpi_test_main.cpp) -AddTest( - TARGET MODULE_BASE_opt_dcsrch - SOURCES test_opt_dcsrch.cpp ../opt_dcsrch.cpp -) +addtest(TARGET MODULE_BASE_opt_dcsrch SOURCES test_opt_dcsrch.cpp + ../opt_dcsrch.cpp) -AddTest( +addtest( TARGET MODULE_BASE_opt_tn - LIBS parameter base device - SOURCES opt_tn_test.cpp opt_test_tools.cpp mpi_test_main.cpp -) + LIBS parameter base device + SOURCES opt_tn_test.cpp opt_test_tools.cpp mpi_test_main.cpp) -AddTest( +addtest( TARGET MODULE_BASE_ylm LIBS parameter - SOURCES ylm_test.cpp ../ylm.cpp ../timer.cpp ../tool_quit.cpp ../global_variable.cpp ../global_file.cpp ../global_function.cpp ../memory_recorder.cpp -) + SOURCES ylm_test.cpp + ../ylm.cpp + ../timer.cpp + ../tool_quit.cpp + ../global_variable.cpp + ../global_file.cpp + ../global_function.cpp + ../memory_recorder.cpp) -AddTest( +addtest( TARGET MODULE_BASE_global_file LIBS parameter - SOURCES global_file_test.cpp ../global_file.cpp ../global_function.cpp ../tool_quit.cpp ../global_variable.cpp ../memory_recorder.cpp ../timer.cpp -) + SOURCES global_file_test.cpp + ../global_file.cpp + ../global_function.cpp + ../tool_quit.cpp + ../global_variable.cpp + ../memory_recorder.cpp + ../timer.cpp) -AddTest( +addtest( TARGET MODULE_BASE_tool_title LIBS parameter - SOURCES tool_title_test.cpp ../tool_title.cpp ../global_variable.cpp ../global_function.cpp ../timer.cpp ../tool_quit.cpp ../global_file.cpp ../memory_recorder.cpp -) + SOURCES tool_title_test.cpp + ../tool_title.cpp + ../global_variable.cpp + ../global_function.cpp + ../timer.cpp + ../tool_quit.cpp + ../global_file.cpp + ../memory_recorder.cpp) -AddTest( +addtest( TARGET MODULE_BASE_element_basis_index LIBS parameter - SOURCES elem_basis_idx_test.cpp ../element_basis_index.cpp -) + SOURCES elem_basis_idx_test.cpp ../element_basis_index.cpp) -AddTest( +addtest( TARGET MODULE_BASE_tool_threading LIBS parameter - SOURCES tool_threading_test.cpp ../tool_threading.h -) + SOURCES tool_threading_test.cpp ../tool_threading.h) -AddTest( +addtest( TARGET MODULE_BASE_sph_bessel_tf SOURCES sph_bessel_tf_test.cpp - LIBS parameter base device -) + LIBS parameter base device) -AddTest( +addtest( TARGET MODULE_BASE_cubic_spline SOURCES cubic_spline_test.cpp - LIBS parameter base device -) + LIBS parameter base device) -AddTest( +addtest( TARGET MODULE_BASE_math_erf_complex SOURCES math_erf_complex_test.cpp - LIBS parameter base device -) + LIBS parameter base device) -AddTest( +addtest( TARGET MODULE_BASE_math_lib_info SOURCES math_lib_info_test.cpp - LIBS parameter base device -) + LIBS parameter base device) -AddTest( +addtest( TARGET MODULE_BASE_clebsch_gordan_coeff_test SOURCES cg_coeff_test.cpp - LIBS parameter base device -) + LIBS parameter base device) -AddTest( +addtest( TARGET MODULE_BASE_assoc_laguerre_test SOURCES assoc_laguerre_test.cpp - LIBS parameter base device -) + LIBS parameter base device) -AddTest( +addtest( TARGET MODULE_BASE_ndarray_test LIBS parameter - SOURCES ndarray_test.cpp -) + SOURCES ndarray_test.cpp) -AddTest( +addtest( TARGET MODULE_BASE_formatter_test LIBS parameter - SOURCES formatter_test.cpp -) + SOURCES formatter_test.cpp) -AddTest( - TARGET MODULE_BASE_lebedev_laikov - SOURCES test_lebedev_laikov.cpp ../ylm.cpp ../math_lebedev_laikov.cpp -) +addtest(TARGET MODULE_BASE_lebedev_laikov + SOURCES test_lebedev_laikov.cpp ../ylm.cpp ../math_lebedev_laikov.cpp) abacus_copy_test_files(support) -AddTest( +addtest( TARGET MODULE_BASE_binstream LIBS parameter base device - SOURCES binstream_test.cpp -) + SOURCES binstream_test.cpp) -AddTest( +addtest( TARGET MODULE_BASE_sparse_matrix LIBS parameter base device - SOURCES sparse_matrix_test.cpp -) + SOURCES sparse_matrix_test.cpp) -AddTest( +addtest( TARGET MODULE_BASE_file_reader LIBS parameter base device - SOURCES file_reader_test.cpp -) + SOURCES file_reader_test.cpp) -AddTest( +addtest( TARGET MODULE_BASE_csr_reader LIBS parameter base device - SOURCES csr_reader_test.cpp -) + SOURCES csr_reader_test.cpp) if(ENABLE_GOOGLEBENCH) - AddTest( + addtest( TARGET MODULE_BASE_perf_sphbes - LIBS parameter - SOURCES perf_sphbes_test.cpp ../math_sphbes.cpp ../timer.cpp - ) + LIBS parameter + SOURCES perf_sphbes_test.cpp ../math_sphbes.cpp ../timer.cpp) endif() diff --git a/source/source_base/test_parallel/CMakeLists.txt b/source/source_base/test_parallel/CMakeLists.txt index f2afe5d5674..b9219aa5190 100644 --- a/source/source_base/test_parallel/CMakeLists.txt +++ b/source/source_base/test_parallel/CMakeLists.txt @@ -1,106 +1,128 @@ -AddTest( +addtest( TARGET MODULE_BASE_ParaCommon LIBS parameter MPI::MPI_CXX - SOURCES parallel_common_test.cpp ../global_variable.cpp ../parallel_common.cpp ../parallel_reduce.cpp ../parallel_comm.cpp ../parallel_global.cpp ../tool_quit.cpp ../global_file.cpp ../global_function.cpp ../memory_recorder.cpp ../timer.cpp -) + SOURCES parallel_common_test.cpp + ../global_variable.cpp + ../parallel_common.cpp + ../parallel_reduce.cpp + ../parallel_comm.cpp + ../parallel_global.cpp + ../tool_quit.cpp + ../global_file.cpp + ../global_function.cpp + ../memory_recorder.cpp + ../timer.cpp) -AddTest( +addtest( TARGET MODULE_BASE_ParaGlobal LIBS parameter MPI::MPI_CXX - SOURCES parallel_global_test.cpp ../global_variable.cpp ../parallel_global.cpp ../parallel_comm.cpp ../tool_quit.cpp ../global_file.cpp ../global_function.cpp ../memory_recorder.cpp ../timer.cpp ../parallel_reduce.cpp -) + SOURCES parallel_global_test.cpp + ../global_variable.cpp + ../parallel_global.cpp + ../parallel_comm.cpp + ../tool_quit.cpp + ../global_file.cpp + ../global_function.cpp + ../memory_recorder.cpp + ../timer.cpp + ../parallel_reduce.cpp) -AddTest( +addtest( TARGET MODULE_BASE_ParaReduce LIBS parameter MPI::MPI_CXX - SOURCES parallel_reduce_test.cpp ../global_variable.cpp ../parallel_global.cpp ../parallel_comm.cpp ../parallel_common.cpp ../parallel_reduce.cpp ../tool_quit.cpp ../global_file.cpp ../global_function.cpp ../memory_recorder.cpp ../timer.cpp -) + SOURCES parallel_reduce_test.cpp + ../global_variable.cpp + ../parallel_global.cpp + ../parallel_comm.cpp + ../parallel_common.cpp + ../parallel_reduce.cpp + ../tool_quit.cpp + ../global_file.cpp + ../global_function.cpp + ../memory_recorder.cpp + ../timer.cpp) -abacus_copy_test_files( - parallel_common_test.sh - parallel_global_test.sh - parallel_reduce_test.sh) +abacus_copy_test_files(parallel_common_test.sh parallel_global_test.sh + parallel_reduce_test.sh) find_program(BASH bash) -add_test(NAME MODULE_BASE_parallel_common_test - COMMAND ${BASH} parallel_common_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) -add_test(NAME MODULE_BASE_parallel_global_test - COMMAND ${BASH} parallel_global_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) -add_test(NAME MODULE_BASE_parallel_reduce_test - COMMAND ${BASH} parallel_reduce_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_BASE_parallel_common_test + COMMAND ${BASH} parallel_common_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +add_test( + NAME MODULE_BASE_parallel_global_test + COMMAND ${BASH} parallel_global_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +add_test( + NAME MODULE_BASE_parallel_reduce_test + COMMAND ${BASH} parallel_reduce_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( +addtest( TARGET MODULE_BASE_para_gemm LIBS MPI::MPI_CXX base device parameter - SOURCES test_para_gemm.cpp -) + SOURCES test_para_gemm.cpp) -AddTest( +addtest( TARGET MODULE_BASE_parallel_device LIBS MPI::MPI_CXX base device parameter - SOURCES parallel_device_test.cpp ../test/mpi_test_main.cpp -) + SOURCES parallel_device_test.cpp ../test/mpi_test_main.cpp) -add_test(NAME MODULE_BASE_parallel_device_parallel - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_BASE_parallel_device_parallel + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( +addtest( TARGET MODULE_BASE_math_chebyshev_mpi LIBS MPI::MPI_CXX parameter base device container - SOURCES math_cheby_mpi_test.cpp -) + SOURCES math_cheby_mpi_test.cpp) -add_test(NAME MODULE_BASE_para_gemm_parallel - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_BASE_para_gemm_parallel + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( - TARGET MODULE_BASE_parallel_2d_test - SOURCES parallel_2d_test.cpp ../parallel_2d.cpp - LIBS parameter -) +addtest( + TARGET MODULE_BASE_parallel_2d_test + SOURCES parallel_2d_test.cpp ../parallel_2d.cpp + LIBS parameter) -AddTest( +addtest( TARGET MODULE_BASE_parallel_domain_grid SOURCES parallel_domain_grid_test.cpp ../test/mpi_test_main.cpp - LIBS parameter MPI::MPI_CXX base device -) + LIBS parameter MPI::MPI_CXX base device) -add_test(NAME MODULE_BASE_parallel_domain_grid_parallel - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_BASE_parallel_domain_grid_parallel + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) abacus_copy_test_files(parallel_2d_test.sh) find_program(BASH bash) -add_test(NAME MODULE_BASE_parallel_2d_test_para - COMMAND ${BASH} parallel_2d_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_BASE_parallel_2d_test_para + COMMAND ${BASH} parallel_2d_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +# Select the same ScaLAPACK/BLACS provider as the main build. +if(MKL_FOUND) + set(BLACS_LIB ${MKL_LIBRARIES}) +else() + set(BLACS_LIB ScaLAPACK::ScaLAPACK) +endif() - # Select the same ScaLAPACK/BLACS provider as the main build. - if(MKL_FOUND) - set(BLACS_LIB ${MKL_LIBRARIES}) - else() - set(BLACS_LIB ScaLAPACK::ScaLAPACK) - endif() - - AddTest( - TARGET MODULE_BASE_blacs_connector - LIBS parameter MPI::MPI_CXX ${BLACS_LIB} - SOURCES blacs_connector_test.cpp - ) - abacus_copy_test_files(blacs_connector_test.sh) - add_test(NAME MODULE_BASE_blacs_connector_test - COMMAND ${BASH} blacs_connector_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - ) +addtest( + TARGET MODULE_BASE_blacs_connector + LIBS parameter MPI::MPI_CXX ${BLACS_LIB} + SOURCES blacs_connector_test.cpp) +abacus_copy_test_files(blacs_connector_test.sh) +add_test( + NAME MODULE_BASE_blacs_connector_test + COMMAND ${BASH} blacs_connector_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) diff --git a/source/source_basis/module_ao/CMakeLists.txt b/source/source_basis/module_ao/CMakeLists.txt index e27b3ce3e2b..b453b3fb450 100644 --- a/source/source_basis/module_ao/CMakeLists.txt +++ b/source/source_basis/module_ao/CMakeLists.txt @@ -1,16 +1,14 @@ if(ENABLE_LCAO) add_library( - orb - OBJECT - orb_atomic.cpp - orb_atomic_lm.cpp - orb_gaunt_table.cpp - orb_nonlocal.cpp - orb_nonlocal_lm.cpp - orb_read.cpp - parallel_orbitals.cpp - elem_basis_idx_orb.cpp - ) + orb OBJECT + orb_atomic.cpp + orb_atomic_lm.cpp + orb_gaunt_table.cpp + orb_nonlocal.cpp + orb_nonlocal_lm.cpp + orb_read.cpp + parallel_orbitals.cpp + elem_basis_idx_orb.cpp) if(ENABLE_COVERAGE) add_coverage(orb) diff --git a/source/source_basis/module_ao/test/CMakeLists.txt b/source/source_basis/module_ao/test/CMakeLists.txt index 1ea201d92ac..9e53fbc4cf4 100644 --- a/source/source_basis/module_ao/test/CMakeLists.txt +++ b/source/source_basis/module_ao/test/CMakeLists.txt @@ -1,7 +1,9 @@ abacus_disable_feature_definitions(__EXX) -list(APPEND depend_files - ../../../source_base/math_integral.cpp +list( + APPEND + depend_files + ../../../source_base/math_integral.cpp ../../../source_base/math_sphbes.cpp ../../../source_base/math_polyint.cpp ../../../source_base/math_ylmreal.cpp @@ -38,55 +40,42 @@ list(APPEND depend_files ../orb_gaunt_table.cpp ../parallel_orbitals.cpp ../../../source_lcao/center2orb_orb11.cpp - ../../../source_lcao/center2orb.cpp - ) + ../../../source_lcao/center2orb.cpp) abacus_copy_test_files(GaAs) -AddTest( - TARGET MODULE_AO_ORB_nonlocal_test - SOURCES orb_nonlocal_test.cpp - ../orb_nonlocal.cpp - ../orb_nonlocal_lm.cpp - LIBS parameter device base -) +addtest( + TARGET MODULE_AO_ORB_nonlocal_test + SOURCES orb_nonlocal_test.cpp ../orb_nonlocal.cpp ../orb_nonlocal_lm.cpp + LIBS parameter device base) -AddTest( - TARGET MODULE_AO_ORB_nonlocal_lm_test - SOURCES orb_nonlocal_lm_test.cpp - ../orb_nonlocal_lm.cpp - LIBS parameter device base -) +addtest( + TARGET MODULE_AO_ORB_nonlocal_lm_test + SOURCES orb_nonlocal_lm_test.cpp ../orb_nonlocal_lm.cpp + LIBS parameter device base) -AddTest( - TARGET MODULE_AO_ORB_atomic_lm_test - SOURCES orb_atomic_lm_test.cpp - test_orb_atomic_lm.cpp - ../orb_atomic_lm.cpp - LIBS parameter device base -) +addtest( + TARGET MODULE_AO_ORB_atomic_lm_test + SOURCES orb_atomic_lm_test.cpp test_orb_atomic_lm.cpp ../orb_atomic_lm.cpp + LIBS parameter device base) -AddTest( - TARGET MODULE_AO_ORB_read_test - SOURCES orb_read_test.cpp - ../orb_read.cpp - ../orb_atomic.cpp - ../orb_atomic_lm.cpp - LIBS parameter device base -) +addtest( + TARGET MODULE_AO_ORB_read_test + SOURCES orb_read_test.cpp ../orb_read.cpp ../orb_atomic.cpp + ../orb_atomic_lm.cpp + LIBS parameter device base) - -AddTest( - TARGET MODULE_AO_parallel_orbitals_test - SOURCES parallel_orbitals_test.cpp ../parallel_orbitals.cpp - LIBS parameter device base -) +addtest( + TARGET MODULE_AO_parallel_orbitals_test + SOURCES parallel_orbitals_test.cpp ../parallel_orbitals.cpp + LIBS parameter device base) abacus_copy_test_files(parallel_orbitals_test.sh) find_program(BASH bash) -add_test(NAME MODULE_AO_parallel_orbitals_test_para - COMMAND ${BASH} parallel_orbitals_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_AO_parallel_orbitals_test_para + COMMAND ${BASH} parallel_orbitals_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) abacus_copy_test_files(lcao_H2O) diff --git a/source/source_basis/module_nao/CMakeLists.txt b/source/source_basis/module_nao/CMakeLists.txt index 0e334747858..f51179c5f20 100644 --- a/source/source_basis/module_nao/CMakeLists.txt +++ b/source/source_basis/module_nao/CMakeLists.txt @@ -1,11 +1,7 @@ # smoothgen is consumed by both NAO (atomic_radials) and PW # (source_pw/module_proj/onsite_proj_init) code, so it must be built # and linked regardless of ENABLE_LCAO. -add_library( - nao_smoothgen - OBJECT - smoothgen.cpp -) +add_library(nao_smoothgen OBJECT smoothgen.cpp) if(ENABLE_COVERAGE) add_coverage(nao_smoothgen) @@ -17,9 +13,8 @@ endif() if(ENABLE_LCAO) add_library( - numerical_atomic_orbitals - OBJECT - numerical_radial.cpp + numerical_atomic_orbitals OBJECT + numerical_radial.cpp radial_set.cpp atomic_radials.cpp beta_radials.cpp @@ -30,11 +25,10 @@ if(ENABLE_LCAO) real_gaunt_table.cpp two_center_table.cpp two_center_integrator.cpp - two_center_bundle.cpp - ) + two_center_bundle.cpp) if(ENABLE_COVERAGE) - add_coverage(numerical_atomic_orbitals) + add_coverage(numerical_atomic_orbitals) endif() if(BUILD_TESTING) diff --git a/source/source_basis/module_nao/test/CMakeLists.txt b/source/source_basis/module_nao/test/CMakeLists.txt index c890c4baba0..bb546afd3f9 100644 --- a/source/source_basis/module_nao/test/CMakeLists.txt +++ b/source/source_basis/module_nao/test/CMakeLists.txt @@ -1,159 +1,120 @@ -AddTest( +addtest( TARGET MODULE_NAO_numerical_radial - SOURCES - numerical_radial_test.cpp - ../numerical_radial.cpp - ../../module_ao/orb_atomic_lm.cpp - LIBS parameter device base -) + SOURCES numerical_radial_test.cpp ../numerical_radial.cpp + ../../module_ao/orb_atomic_lm.cpp + LIBS parameter device base) -AddTest( +addtest( TARGET MODULE_NAO_atomic_radials - SOURCES - atomic_radials_test.cpp - ../atomic_radials.cpp - ../smoothgen.cpp - ../radial_set.cpp - ../numerical_radial.cpp - ../../module_ao/orb_atomic_lm.cpp - ../../module_ao/orb_atomic.cpp - LIBS parameter device base -) + SOURCES atomic_radials_test.cpp + ../atomic_radials.cpp + ../smoothgen.cpp + ../radial_set.cpp + ../numerical_radial.cpp + ../../module_ao/orb_atomic_lm.cpp + ../../module_ao/orb_atomic.cpp + LIBS parameter device base) -AddTest( +addtest( TARGET MODULE_NAO_beta_radials - SOURCES - beta_radials_test.cpp - ../beta_radials.cpp - ../radial_set.cpp - ../numerical_radial.cpp - ../../module_ao/orb_atomic_lm.cpp - ../../module_ao/orb_atomic.cpp - LIBS parameter device base -) + SOURCES beta_radials_test.cpp ../beta_radials.cpp ../radial_set.cpp + ../numerical_radial.cpp ../../module_ao/orb_atomic_lm.cpp + ../../module_ao/orb_atomic.cpp + LIBS parameter device base) -AddTest( +addtest( TARGET MODULE_NAO_hydrogen_radials - SOURCES - hydrogen_radials_test.cpp - ../hydrogen_radials.cpp - ../radial_set.cpp - ../numerical_radial.cpp - ../../module_ao/orb_atomic_lm.cpp - ../../module_ao/orb_atomic.cpp - LIBS parameter device base -) + SOURCES hydrogen_radials_test.cpp ../hydrogen_radials.cpp ../radial_set.cpp + ../numerical_radial.cpp ../../module_ao/orb_atomic_lm.cpp + ../../module_ao/orb_atomic.cpp + LIBS parameter device base) -AddTest( +addtest( TARGET MODULE_NAO_pswfc_radials - SOURCES - pswfc_radials_test.cpp - ../pswfc_radials.cpp - ../radial_set.cpp - ../numerical_radial.cpp - ../../module_ao/orb_atomic_lm.cpp - ../../module_ao/orb_atomic.cpp - LIBS parameter device base -) + SOURCES pswfc_radials_test.cpp ../pswfc_radials.cpp ../radial_set.cpp + ../numerical_radial.cpp ../../module_ao/orb_atomic_lm.cpp + ../../module_ao/orb_atomic.cpp + LIBS parameter device base) -AddTest( +addtest( TARGET MODULE_NAO_sphbes_radials - SOURCES - sphbes_radials_test.cpp - ../sphbes_radials.cpp - ../radial_set.cpp - ../numerical_radial.cpp - ../../module_ao/orb_atomic_lm.cpp - ../../module_ao/orb_atomic.cpp - LIBS parameter device base -) + SOURCES sphbes_radials_test.cpp ../sphbes_radials.cpp ../radial_set.cpp + ../numerical_radial.cpp ../../module_ao/orb_atomic_lm.cpp + ../../module_ao/orb_atomic.cpp + LIBS parameter device base) -AddTest( +addtest( TARGET MODULE_NAO_radial_collection - SOURCES - radial_collection_test.cpp - ../radial_collection.cpp - ../atomic_radials.cpp - ../smoothgen.cpp - ../beta_radials.cpp - ../hydrogen_radials.cpp - ../pswfc_radials.cpp - ../radial_set.cpp - ../numerical_radial.cpp - ../sphbes_radials.cpp - ../../module_ao/orb_atomic_lm.cpp - ../../module_ao/orb_atomic.cpp - LIBS parameter device base -) + SOURCES radial_collection_test.cpp + ../radial_collection.cpp + ../atomic_radials.cpp + ../smoothgen.cpp + ../beta_radials.cpp + ../hydrogen_radials.cpp + ../pswfc_radials.cpp + ../radial_set.cpp + ../numerical_radial.cpp + ../sphbes_radials.cpp + ../../module_ao/orb_atomic_lm.cpp + ../../module_ao/orb_atomic.cpp + LIBS parameter device base) -AddTest( +addtest( TARGET MODULE_NAO_two_center_table - SOURCES - two_center_table_test.cpp - ../two_center_table.cpp - ../radial_collection.cpp - ../atomic_radials.cpp - ../smoothgen.cpp - ../beta_radials.cpp - ../hydrogen_radials.cpp - ../pswfc_radials.cpp - ../sphbes_radials.cpp - ../radial_set.cpp - ../numerical_radial.cpp - ../two_center_bundle.cpp - ../two_center_integrator.cpp - ../real_gaunt_table.cpp + SOURCES two_center_table_test.cpp + ../two_center_table.cpp + ../radial_collection.cpp + ../atomic_radials.cpp + ../smoothgen.cpp + ../beta_radials.cpp + ../hydrogen_radials.cpp + ../pswfc_radials.cpp + ../sphbes_radials.cpp + ../radial_set.cpp + ../numerical_radial.cpp + ../two_center_bundle.cpp + ../two_center_integrator.cpp + ../real_gaunt_table.cpp + LIBS parameter device base container orb) - LIBS parameter device base container orb -) - -AddTest( +addtest( TARGET MODULE_NAO_real_gaunt_table - SOURCES - real_gaunt_table_test.cpp - ../real_gaunt_table.cpp - ../../module_ao/orb_gaunt_table.cpp - LIBS parameter device base container -) + SOURCES real_gaunt_table_test.cpp ../real_gaunt_table.cpp + ../../module_ao/orb_gaunt_table.cpp + LIBS parameter device base container) -AddTest( +addtest( TARGET MODULE_NAO_two_center_integrator - SOURCES - two_center_integ_test.cpp - ../two_center_integrator.cpp - ../two_center_table.cpp - ../real_gaunt_table.cpp - ../radial_collection.cpp - ../atomic_radials.cpp - ../smoothgen.cpp - ../beta_radials.cpp - ../hydrogen_radials.cpp - ../pswfc_radials.cpp - ../sphbes_radials.cpp - ../radial_set.cpp - ../numerical_radial.cpp - ../two_center_bundle.cpp - - LIBS parameter device base container orb -) + SOURCES two_center_integ_test.cpp + ../two_center_integrator.cpp + ../two_center_table.cpp + ../real_gaunt_table.cpp + ../radial_collection.cpp + ../atomic_radials.cpp + ../smoothgen.cpp + ../beta_radials.cpp + ../hydrogen_radials.cpp + ../pswfc_radials.cpp + ../sphbes_radials.cpp + ../radial_set.cpp + ../numerical_radial.cpp + ../two_center_bundle.cpp + LIBS parameter device base container orb) -AddTest( +addtest( TARGET MODULE_NAO_two_center_bundle - SOURCES - two_center_bundle_test.cpp - ../two_center_bundle.cpp - ../two_center_integrator.cpp - ../two_center_table.cpp - ../real_gaunt_table.cpp - ../radial_collection.cpp - ../atomic_radials.cpp - ../smoothgen.cpp - ../beta_radials.cpp - ../hydrogen_radials.cpp - ../pswfc_radials.cpp - ../sphbes_radials.cpp - ../radial_set.cpp - ../numerical_radial.cpp - - LIBS parameter device base container orb -) + SOURCES two_center_bundle_test.cpp + ../two_center_bundle.cpp + ../two_center_integrator.cpp + ../two_center_table.cpp + ../real_gaunt_table.cpp + ../radial_collection.cpp + ../atomic_radials.cpp + ../smoothgen.cpp + ../beta_radials.cpp + ../hydrogen_radials.cpp + ../pswfc_radials.cpp + ../sphbes_radials.cpp + ../radial_set.cpp + ../numerical_radial.cpp + LIBS parameter device base container orb) diff --git a/source/source_basis/module_nao/unittests/CMakeLists.txt b/source/source_basis/module_nao/unittests/CMakeLists.txt index 0c73bbe8d5e..175d6f42743 100644 --- a/source/source_basis/module_nao/unittests/CMakeLists.txt +++ b/source/source_basis/module_nao/unittests/CMakeLists.txt @@ -1,5 +1,4 @@ -AddTest( +addtest( TARGET MODULE_NAO_smoothgen_test LIBS parameter device base - SOURCES test_smoothgen.cpp ../smoothgen.cpp -) + SOURCES test_smoothgen.cpp ../smoothgen.cpp) diff --git a/source/source_basis/module_pw/CMakeLists.txt b/source/source_basis/module_pw/CMakeLists.txt index 12d037dab73..c1ec610d5fd 100644 --- a/source/source_basis/module_pw/CMakeLists.txt +++ b/source/source_basis/module_pw/CMakeLists.txt @@ -1,52 +1,41 @@ -if (ENABLE_FLOAT_FFTW) - list (APPEND FFT_SRC - ../../source_base/module_fft/fft_cpu_float.cpp - ) +if(ENABLE_FLOAT_FFTW) + list(APPEND FFT_SRC ../../source_base/module_fft/fft_cpu_float.cpp) endif() -if (USE_CUDA) - list (APPEND FFT_SRC - ../../source_base/module_fft/fft_cuda.cpp - ) +if(USE_CUDA) + list(APPEND FFT_SRC ../../source_base/module_fft/fft_cuda.cpp) endif() -if (USE_ROCM) - list (APPEND FFT_SRC - ../../source_base/module_fft/fft_rocm.cpp - ) +if(USE_ROCM) + list(APPEND FFT_SRC ../../source_base/module_fft/fft_rocm.cpp) endif() -if (USE_DSP) - list (APPEND FFT_SRC - ../../source_base/module_fft/fft_dsp.cpp - ../../source_base/module_fft/fft_dsp_float.cpp - pw_transform_k_dsp.cpp) +if(USE_DSP) + list(APPEND FFT_SRC ../../source_base/module_fft/fft_dsp.cpp + ../../source_base/module_fft/fft_dsp_float.cpp pw_transform_k_dsp.cpp) endif() -list(APPEND objects - pw_basis.cpp - pw_grid_geometry.cpp - pw_basis_k.cpp - pw_basis_sup.cpp - pw_distributeg.cpp - pw_distg_method1.cpp - pw_distg_method2.cpp - pw_distributer.cpp - pw_init.cpp - pw_transform.cpp - pw_transform_gpu.cpp - pw_transform_k.cpp - ../../source_base/module_fft/fft_bundle.cpp - ../../source_base/module_fft/fft_cpu.cpp - ${FFT_SRC} -) +list( + APPEND + objects + pw_basis.cpp + pw_grid_geometry.cpp + pw_basis_k.cpp + pw_basis_sup.cpp + pw_distributeg.cpp + pw_distg_method1.cpp + pw_distg_method2.cpp + pw_distributer.cpp + pw_init.cpp + pw_transform.cpp + pw_transform_gpu.cpp + pw_transform_k.cpp + ../../source_base/module_fft/fft_bundle.cpp + ../../source_base/module_fft/fft_cpu.cpp + ${FFT_SRC}) -add_library( - planewave - OBJECT - ${objects} -) +add_library(planewave OBJECT ${objects}) -if (USE_DSP) -target_compile_definitions( planewave PUBLIC -FFT_DAT_DIR="${MTBLAS_FFT_DIR}/datfile/mt_fft_blas.dat") +if(USE_DSP) + target_compile_definitions( + planewave PUBLIC FFT_DAT_DIR="${MTBLAS_FFT_DIR}/datfile/mt_fft_blas.dat") endif() if(ENABLE_COVERAGE) add_coverage(planewave) diff --git a/source/source_basis/module_pw/kernels/test/CMakeLists.txt b/source/source_basis/module_pw/kernels/test/CMakeLists.txt index ba6b5b4946f..37290309c99 100644 --- a/source/source_basis/module_pw/kernels/test/CMakeLists.txt +++ b/source/source_basis/module_pw/kernels/test/CMakeLists.txt @@ -1,13 +1,19 @@ abacus_add_local_feature_definitions(__NORMAL) -AddTest( - TARGET MODULE_PW_PW_Kernels_UTs - LIBS parameter psi device - SOURCES pw_op_test.cpp - ../../../../source_base/tool_quit.cpp ../../../../source_base/global_variable.cpp - ../../../../source_base/parallel_global.cpp ../../../../source_base/parallel_reduce.cpp - ../../../../source_base/parallel_comm.cpp - ../../../../source_base/complexmatrix.cpp ../../../../source_base/matrix.cpp ../../../../source_base/memory_recorder.cpp - ../../../../source_base/libm/branred.cpp ../../../../source_base/libm/sincos.cpp - ../../../../source_base/module_external/blas_connector_base.cpp ../../../../source_base/module_external/blas_connector_vector.cpp ../../../../source_base/module_external/blas_connector_matrix.cpp -) \ No newline at end of file +addtest( + TARGET MODULE_PW_PW_Kernels_UTs + LIBS parameter psi device + SOURCES pw_op_test.cpp + ../../../../source_base/tool_quit.cpp + ../../../../source_base/global_variable.cpp + ../../../../source_base/parallel_global.cpp + ../../../../source_base/parallel_reduce.cpp + ../../../../source_base/parallel_comm.cpp + ../../../../source_base/complexmatrix.cpp + ../../../../source_base/matrix.cpp + ../../../../source_base/memory_recorder.cpp + ../../../../source_base/libm/branred.cpp + ../../../../source_base/libm/sincos.cpp + ../../../../source_base/module_external/blas_connector_base.cpp + ../../../../source_base/module_external/blas_connector_vector.cpp + ../../../../source_base/module_external/blas_connector_matrix.cpp) diff --git a/source/source_basis/module_pw/test/CMakeLists.txt b/source/source_basis/module_pw/test/CMakeLists.txt index 7986857f20b..e0a7e134da3 100644 --- a/source/source_basis/module_pw/test/CMakeLists.txt +++ b/source/source_basis/module_pw/test/CMakeLists.txt @@ -1,28 +1,73 @@ abacus_add_local_feature_definitions(__NORMAL) -AddTest( +addtest( TARGET MODULE_PW_pw_test LIBS parameter planewave device - SOURCES ../../../source_base/matrix.cpp ../../../source_base/complexmatrix.cpp ../../../source_base/matrix3.cpp ../../../source_base/tool_quit.cpp - ../../../source_base/mymath.cpp ../../../source_base/timer.cpp ../../../source_base/memory_recorder.cpp - ../../../source_base/module_external/blas_connector_base.cpp ../../../source_base/module_external/blas_connector_vector.cpp ../../../source_base/module_external/blas_connector_matrix.cpp - ../../../source_base/libm/branred.cpp ../../../source_base/libm/sincos.cpp + SOURCES ../../../source_base/matrix.cpp + ../../../source_base/complexmatrix.cpp + ../../../source_base/matrix3.cpp + ../../../source_base/tool_quit.cpp + ../../../source_base/mymath.cpp + ../../../source_base/timer.cpp + ../../../source_base/memory_recorder.cpp + ../../../source_base/module_external/blas_connector_base.cpp + ../../../source_base/module_external/blas_connector_vector.cpp + ../../../source_base/module_external/blas_connector_matrix.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp ../../../source_base/module_device/memory_op.cpp - depend_mock.cpp pw_test.cpp test1_1_1.cpp test1_1_2.cpp test1_2.cpp test1_3.cpp test1_4.cpp test1_5.cpp - test2_1_1.cpp test2_1_2.cpp test2_2.cpp test2_3.cpp - test3_1.cpp test3_2.cpp test3_3.cpp test3_3_2.cpp - test4_1.cpp test4_2.cpp test4_3.cpp test4_4.cpp test4_5.cpp - test5_1_1.cpp test5_1_2.cpp test5_2_1.cpp test5_2_2.cpp test5_3_1.cpp test5_4_1.cpp test5_4_2.cpp - test6_1_1.cpp test6_1_2.cpp test6_2_1.cpp test6_2_2.cpp test6_3_1.cpp test6_4_1.cpp test6_4_2.cpp - test7_1.cpp test6_2_1.cpp test7_3_1.cpp test7_3_2.cpp - test8_1.cpp test8_2_1.cpp test8_3_1.cpp test8_3_2.cpp - test_tool.cpp test_big.cpp test_other.cpp test_sup.cpp -) + depend_mock.cpp + pw_test.cpp + test1_1_1.cpp + test1_1_2.cpp + test1_2.cpp + test1_3.cpp + test1_4.cpp + test1_5.cpp + test2_1_1.cpp + test2_1_2.cpp + test2_2.cpp + test2_3.cpp + test3_1.cpp + test3_2.cpp + test3_3.cpp + test3_3_2.cpp + test4_1.cpp + test4_2.cpp + test4_3.cpp + test4_4.cpp + test4_5.cpp + test5_1_1.cpp + test5_1_2.cpp + test5_2_1.cpp + test5_2_2.cpp + test5_3_1.cpp + test5_4_1.cpp + test5_4_2.cpp + test6_1_1.cpp + test6_1_2.cpp + test6_2_1.cpp + test6_2_2.cpp + test6_3_1.cpp + test6_4_1.cpp + test6_4_2.cpp + test7_1.cpp + test6_2_1.cpp + test7_3_1.cpp + test7_3_2.cpp + test8_1.cpp + test8_2_1.cpp + test8_3_1.cpp + test8_3_2.cpp + test_tool.cpp + test_big.cpp + test_other.cpp + test_sup.cpp) -add_test(NAME MODULE_PW_pw_test_parallel - COMMAND mpirun -np 3 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) -add_test(NAME MODULE_PW_pw_test_parallel_4np - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_PW_pw_test_parallel + COMMAND mpirun -np 3 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +add_test( + NAME MODULE_PW_pw_test_parallel_4np + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) diff --git a/source/source_basis/module_pw/test_gpu/CMakeLists.txt b/source/source_basis/module_pw/test_gpu/CMakeLists.txt index c0849882e9c..d0904036f9c 100644 --- a/source/source_basis/module_pw/test_gpu/CMakeLists.txt +++ b/source/source_basis/module_pw/test_gpu/CMakeLists.txt @@ -1,9 +1,7 @@ abacus_add_local_feature_definitions(__NORMAL) -if (USE_CUDA AND ENABLE_FLOAT_FFTW) - AddTest( +if(USE_CUDA AND ENABLE_FLOAT_FFTW) + addtest( TARGET pw_test_gpu LIBS parameter base planewave device FFTW3::FFTW3_FLOAT - SOURCES pw_test.cpp pw_basis_c2r.cpp pw_basis_c2c.cpp pw_basis_k_c2c.cpp - ) + SOURCES pw_test.cpp pw_basis_c2r.cpp pw_basis_c2c.cpp pw_basis_k_c2c.cpp) endif() - diff --git a/source/source_basis/module_pw/test_serial/CMakeLists.txt b/source/source_basis/module_pw/test_serial/CMakeLists.txt index 0ab7d3216a9..adc804b2c7c 100644 --- a/source/source_basis/module_pw/test_serial/CMakeLists.txt +++ b/source/source_basis/module_pw/test_serial/CMakeLists.txt @@ -7,37 +7,32 @@ abacus_disable_feature_definitions(__UT_USE_ROCM) abacus_disable_feature_definitions(__MLALGO) add_library( - planewave_serial - OBJECT - ../../../source_base/module_fft/fft_bundle.cpp - ../../../source_base/module_fft/fft_cpu.cpp - ../pw_basis.cpp - ../pw_grid_geometry.cpp - ../pw_basis_k.cpp - ../pw_basis_sup.cpp - ../pw_distributeg.cpp - ../pw_distg_method1.cpp - ../pw_distg_method2.cpp - ../pw_distributer.cpp - ../pw_init.cpp - ../pw_transform.cpp - ../pw_transform_k.cpp -) + planewave_serial OBJECT + ../../../source_base/module_fft/fft_bundle.cpp + ../../../source_base/module_fft/fft_cpu.cpp + ../pw_basis.cpp + ../pw_grid_geometry.cpp + ../pw_basis_k.cpp + ../pw_basis_sup.cpp + ../pw_distributeg.cpp + ../pw_distg_method1.cpp + ../pw_distg_method2.cpp + ../pw_distributer.cpp + ../pw_init.cpp + ../pw_transform.cpp + ../pw_transform_k.cpp) -AddTest( +addtest( TARGET MODULE_PW_grid_geometry LIBS parameter planewave_serial device base - SOURCES test_pw_grid_geometry.cpp -) + SOURCES test_pw_grid_geometry.cpp) -AddTest( +addtest( TARGET MODULE_PW_basis_pw_serial LIBS parameter planewave_serial device base - SOURCES pw_basis_test.cpp -) + SOURCES pw_basis_test.cpp) -AddTest( +addtest( TARGET MODULE_PW_basis_pw_k_serial LIBS parameter planewave_serial device base - SOURCES pw_basis_k_test.cpp -) + SOURCES pw_basis_k_test.cpp) diff --git a/source/source_cell/module_neighbor/test/CMakeLists.txt b/source/source_cell/module_neighbor/test/CMakeLists.txt index 429a6fc5248..6aae161d437 100644 --- a/source/source_cell/module_neighbor/test/CMakeLists.txt +++ b/source/source_cell/module_neighbor/test/CMakeLists.txt @@ -5,32 +5,15 @@ abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__EXX) addtest(TARGET MODULE_CELL_NEIGHBOR_sltk_atom SOURCES sltk_atom_test.cpp - ../sltk_atom.cpp) + ../sltk_atom.cpp) addtest( - TARGET - MODULE_CELL_NEIGHBOR_sltk_grid - LIBS - parameter - base - device - cell_info - SOURCES - sltk_grid_test.cpp - ../sltk_grid.cpp - ../sltk_atom.cpp) + TARGET MODULE_CELL_NEIGHBOR_sltk_grid + LIBS parameter base device cell_info + SOURCES sltk_grid_test.cpp ../sltk_grid.cpp ../sltk_atom.cpp) addtest( - TARGET - MODULE_CELL_NEIGHBOR_sltk_atom_arrange - LIBS - parameter - base - device - cell_info - SOURCES - sltk_atom_arrange_test.cpp - ../sltk_atom_arrange.cpp - ../sltk_grid_driver.cpp - ../sltk_grid.cpp - ../sltk_atom.cpp) + TARGET MODULE_CELL_NEIGHBOR_sltk_atom_arrange + LIBS parameter base device cell_info + SOURCES sltk_atom_arrange_test.cpp ../sltk_atom_arrange.cpp + ../sltk_grid_driver.cpp ../sltk_grid.cpp ../sltk_atom.cpp) diff --git a/source/source_cell/module_neighlist/test/CMakeLists.txt b/source/source_cell/module_neighlist/test/CMakeLists.txt index f43b2aa505e..eb33fbd4631 100644 --- a/source/source_cell/module_neighlist/test/CMakeLists.txt +++ b/source/source_cell/module_neighlist/test/CMakeLists.txt @@ -5,68 +5,32 @@ abacus_disable_feature_definitions(__EXX) # Split tests: create one test target per test source to keep failures isolated. addtest( - TARGET - MODULE_CELL_NEIGHBOR_neighbor_search - LIBS - parameter - base - device - cell - neighbor - symmetry - SOURCES - test_neighbor_search.cpp - ../neighbor_search.cpp - ../../domain_decomposition.cpp - ../bin_manager.cpp - ../page_allocator.cpp) + TARGET MODULE_CELL_NEIGHBOR_neighbor_search + LIBS parameter base device cell neighbor symmetry + SOURCES test_neighbor_search.cpp ../neighbor_search.cpp + ../../domain_decomposition.cpp ../bin_manager.cpp + ../page_allocator.cpp) addtest( - TARGET - MODULE_CELL_NEIGHBOR_bin_manager - LIBS - parameter - base - device - SOURCES - test_bin_manager.cpp - ../bin_manager.cpp - ../page_allocator.cpp) + TARGET MODULE_CELL_NEIGHBOR_bin_manager + LIBS parameter base device + SOURCES test_bin_manager.cpp ../bin_manager.cpp ../page_allocator.cpp) addtest( - TARGET - MODULE_CELL_NEIGHBOR_allocator_and_list - LIBS - parameter - base - device - SOURCES - test_neighbor_list.cpp - ../neighbor_list.cpp - ../page_allocator.cpp) + TARGET MODULE_CELL_NEIGHBOR_allocator_and_list + LIBS parameter base device + SOURCES test_neighbor_list.cpp ../neighbor_list.cpp ../page_allocator.cpp) addtest( - TARGET - MODULE_CELL_NEIGHBOR_page_allocator - LIBS - parameter - base - device - SOURCES - test_page_allocator.cpp - ../page_allocator.cpp) + TARGET MODULE_CELL_NEIGHBOR_page_allocator + LIBS parameter base device + SOURCES test_page_allocator.cpp ../page_allocator.cpp) if(USE_CUDA AND ENABLE_GPU_NEIGHBOR_LIST) addtest( - TARGET - MODULE_CELL_NEIGHBOR_gpu_neighbor_list - LIBS - parameter - base - device - SOURCES - test_gpu_neighbor_list.cpp - ../gpu_neighbor_list.cpp) + TARGET MODULE_CELL_NEIGHBOR_gpu_neighbor_list + LIBS parameter base device + SOURCES test_gpu_neighbor_list.cpp ../gpu_neighbor_list.cpp) target_compile_definitions(MODULE_CELL_NEIGHBOR_gpu_neighbor_list PRIVATE __CUDA) endif() diff --git a/source/source_cell/module_symmetry/test/CMakeLists.txt b/source/source_cell/module_symmetry/test/CMakeLists.txt index d30ebc3e22c..bbff354bee0 100644 --- a/source/source_cell/module_symmetry/test/CMakeLists.txt +++ b/source/source_cell/module_symmetry/test/CMakeLists.txt @@ -3,54 +3,28 @@ abacus_disable_feature_definitions(__MLALGO) abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) addtest( - TARGET - MODULE_CELL_SYMMETRY_analysis - LIBS - base - device - symmetry - SOURCES - symm_test.cpp - symm_test_analysis.cpp) + TARGET MODULE_CELL_SYMMETRY_analysis + LIBS base device symmetry + SOURCES symm_test.cpp symm_test_analysis.cpp) addtest( - TARGET - MODULE_CELL_SYMMETRY_symtrz - LIBS - base - device - symmetry - SOURCES - symm_test.cpp - symm_test_symtrz.cpp) + TARGET MODULE_CELL_SYMMETRY_symtrz + LIBS base device symmetry + SOURCES symm_test.cpp symm_test_symtrz.cpp) addtest( - TARGET - MODULE_CELL_SYMMETRY_rotation_spin - LIBS - parameter - base - ${math_libs} - device - SOURCES - symm_rot_spin_test.cpp - ../symm_rot_spin.cpp) + TARGET MODULE_CELL_SYMMETRY_rotation_spin + LIBS parameter base ${math_libs} device + SOURCES symm_rot_spin_test.cpp ../symm_rot_spin.cpp) addtest( - TARGET - MODULE_CELL_SYMMETRY_rho_soc - LIBS - parameter - base - ${math_libs} - device - symmetry - SOURCES - symm_rho_soc_test.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/density_matrix.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_gamma.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dm_tools.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_k.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_td.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_full.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp - ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp) + TARGET MODULE_CELL_SYMMETRY_rho_soc + LIBS parameter base ${math_libs} device symmetry + SOURCES symm_rho_soc_test.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/density_matrix.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_gamma.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dm_tools.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_k.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_td.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_full.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp + ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp) diff --git a/source/source_cell/test/CMakeLists.txt b/source/source_cell/test/CMakeLists.txt index 77632f4f5f0..4905c9ba39a 100644 --- a/source/source_cell/test/CMakeLists.txt +++ b/source/source_cell/test/CMakeLists.txt @@ -49,149 +49,93 @@ list( add_library(cell_info OBJECT ${cell_simple_srcs}) addtest( - TARGET - MODULE_CELL_cell_geometry - LIBS - base - device - SOURCES - test_cell_geometry.cpp - ../cell_geometry.cpp) + TARGET MODULE_CELL_cell_geometry + LIBS base device + SOURCES test_cell_geometry.cpp ../cell_geometry.cpp) if(NOT ENABLE_MPI) return() endif() addtest( - TARGET - MODULE_CELL_read_pp - LIBS - base - device - SOURCES - read_pp_test.cpp - ../atom_pseudo.cpp - ../pseudo.cpp - ../read_pp.cpp - ../read_pp_complete.cpp - ../read_pp_upf201.cpp - ../read_pp_upf100.cpp - ../read_pp_vwr.cpp - ../read_pp_blps.cpp) + TARGET MODULE_CELL_read_pp + LIBS base device + SOURCES read_pp_test.cpp + ../atom_pseudo.cpp + ../pseudo.cpp + ../read_pp.cpp + ../read_pp_complete.cpp + ../read_pp_upf201.cpp + ../read_pp_upf100.cpp + ../read_pp_vwr.cpp + ../read_pp_blps.cpp) addtest( - TARGET - MODULE_CELL_pseudo_nc - LIBS - base - device - SOURCES - pseudo_nc_test.cpp - ../pseudo.cpp - ../atom_pseudo.cpp - ../read_pp.cpp - ../read_pp_complete.cpp - ../read_pp_upf201.cpp - ../read_pp_upf100.cpp - ../read_pp_vwr.cpp - ../read_pp_blps.cpp) + TARGET MODULE_CELL_pseudo_nc + LIBS base device + SOURCES pseudo_nc_test.cpp + ../pseudo.cpp + ../atom_pseudo.cpp + ../read_pp.cpp + ../read_pp_complete.cpp + ../read_pp_upf201.cpp + ../read_pp_upf100.cpp + ../read_pp_vwr.cpp + ../read_pp_blps.cpp) addtest( - TARGET - MODULE_CELL_atom_pseudo - LIBS - base - device - SOURCES - atom_pseudo_test.cpp - ../atom_pseudo.cpp - ../pseudo.cpp - ../read_pp.cpp - ../read_pp_complete.cpp - ../read_pp_upf201.cpp - ../read_pp_upf100.cpp - ../read_pp_vwr.cpp - ../read_pp_blps.cpp) + TARGET MODULE_CELL_atom_pseudo + LIBS base device + SOURCES atom_pseudo_test.cpp + ../atom_pseudo.cpp + ../pseudo.cpp + ../read_pp.cpp + ../read_pp_complete.cpp + ../read_pp_upf201.cpp + ../read_pp_upf100.cpp + ../read_pp_vwr.cpp + ../read_pp_blps.cpp) addtest( - TARGET - MODULE_CELL_atom_spec - LIBS - base - device - SOURCES - atom_spec_test.cpp - ../atom_spec.cpp - ../atom_pseudo.cpp - ../pseudo.cpp - ../read_pp.cpp - ../read_pp_complete.cpp - ../read_pp_upf201.cpp - ../read_pp_upf100.cpp - ../read_pp_vwr.cpp - ../read_pp_blps.cpp) + TARGET MODULE_CELL_atom_spec + LIBS base device + SOURCES atom_spec_test.cpp + ../atom_spec.cpp + ../atom_pseudo.cpp + ../pseudo.cpp + ../read_pp.cpp + ../read_pp_complete.cpp + ../read_pp_upf201.cpp + ../read_pp_upf100.cpp + ../read_pp_vwr.cpp + ../read_pp_blps.cpp) addtest( - TARGET - MODULE_CELL_klist_test - LIBS - base - device - symmetry - SOURCES - klist_test.cpp - test_klist_io.cpp - ../klist.cpp - ../klist_io.cpp - ../parallel_kpoints.cpp - ../reciprocal_grid.cpp) + TARGET MODULE_CELL_klist_test + LIBS base device symmetry + SOURCES klist_test.cpp test_klist_io.cpp ../klist.cpp ../klist_io.cpp + ../parallel_kpoints.cpp ../reciprocal_grid.cpp) addtest( - TARGET - MODULE_CELL_reciprocal_grid_test - LIBS - base - device - symmetry - SOURCES - reciprocal_grid_test.cpp - ../reciprocal_grid.cpp) + TARGET MODULE_CELL_reciprocal_grid_test + LIBS base device symmetry + SOURCES reciprocal_grid_test.cpp ../reciprocal_grid.cpp) addtest( - TARGET - MODULE_CELL_qlist_test - LIBS - base - device - symmetry - SOURCES - qlist_test.cpp - ../qlist.cpp - ../reciprocal_grid.cpp) + TARGET MODULE_CELL_qlist_test + LIBS base device symmetry + SOURCES qlist_test.cpp ../qlist.cpp ../reciprocal_grid.cpp) addtest( - TARGET - MODULE_CELL_little_group_test - LIBS - base - device - symmetry - SOURCES - little_group_test.cpp) + TARGET MODULE_CELL_little_group_test + LIBS base device symmetry + SOURCES little_group_test.cpp) addtest( - TARGET - MODULE_CELL_klist_test_para1 - LIBS - base - device - symmetry - SOURCES - klist_test_para.cpp - ../klist.cpp - ../klist_io.cpp - ../parallel_kpoints.cpp - ../reciprocal_grid.cpp) + TARGET MODULE_CELL_klist_test_para1 + LIBS base device symmetry + SOURCES klist_test_para.cpp ../klist.cpp ../klist_io.cpp + ../parallel_kpoints.cpp ../reciprocal_grid.cpp) add_test( NAME MODULE_CELL_klist_test_para4 @@ -200,58 +144,51 @@ add_test( WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) addtest( - TARGET - MODULE_CELL_ParaKpoints - LIBS - MPI::MPI_CXX - SOURCES - parallel_kpoints_test.cpp - ../../source_base/global_variable.cpp - ../../source_base/parallel_global.cpp - ../../source_base/parallel_common.cpp - ../../source_base/parallel_comm.cpp - ../parallel_kpoints.cpp - ../../source_base/tool_quit.cpp - ../../source_base/global_variable.cpp - ../../source_base/global_file.cpp - ../../source_base/global_function.cpp - ../../source_base/memory_recorder.cpp - ../../source_base/timer.cpp - ../../source_base/parallel_reduce.cpp) + TARGET MODULE_CELL_ParaKpoints + LIBS MPI::MPI_CXX + SOURCES parallel_kpoints_test.cpp + ../../source_base/global_variable.cpp + ../../source_base/parallel_global.cpp + ../../source_base/parallel_common.cpp + ../../source_base/parallel_comm.cpp + ../parallel_kpoints.cpp + ../../source_base/tool_quit.cpp + ../../source_base/global_variable.cpp + ../../source_base/global_file.cpp + ../../source_base/global_function.cpp + ../../source_base/memory_recorder.cpp + ../../source_base/timer.cpp + ../../source_base/parallel_reduce.cpp) # Add unit test for read_atoms_helper addtest( - TARGET - MODULE_CELL_read_atoms_helper_test - LIBS - base - device - SOURCES - read_atoms_hlp_test.cpp - ../read_atoms.cpp - ../read_atoms_helper.cpp - ../cell_tools.cpp - ../read_orb.cpp - ../read_stru.cpp - ../print_cell.cpp - ../atom_spec.cpp - ../unitcell.cpp - ../unitcell_index.cpp - ../unitcell_stats.cpp - ../unitcell_setup.cpp - ../update_cell.cpp - ../bcast_cell.cpp - ../atom_pseudo.cpp - ../pseudo.cpp - ../read_pp.cpp - ../read_pp_complete.cpp - ../read_pp_upf201.cpp - ../read_pp_upf100.cpp - ../read_pp_vwr.cpp - ../read_pp_blps.cpp - ../read_atom_species.cpp - ../sep.cpp - ../sep_cell.cpp) + TARGET MODULE_CELL_read_atoms_helper_test + LIBS base device + SOURCES read_atoms_hlp_test.cpp + ../read_atoms.cpp + ../read_atoms_helper.cpp + ../cell_tools.cpp + ../read_orb.cpp + ../read_stru.cpp + ../print_cell.cpp + ../atom_spec.cpp + ../unitcell.cpp + ../unitcell_index.cpp + ../unitcell_stats.cpp + ../unitcell_setup.cpp + ../update_cell.cpp + ../bcast_cell.cpp + ../atom_pseudo.cpp + ../pseudo.cpp + ../read_pp.cpp + ../read_pp_complete.cpp + ../read_pp_upf201.cpp + ../read_pp_upf100.cpp + ../read_pp_vwr.cpp + ../read_pp_blps.cpp + ../read_atom_species.cpp + ../sep.cpp + ../sep_cell.cpp) find_program(BASH bash) @@ -273,129 +210,64 @@ add_test( WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) addtest( - TARGET - MODULE_CELL_unitcell_test - LIBS - base - device - cell_info - symmetry - SOURCES - unitcell_test.cpp) + TARGET MODULE_CELL_unitcell_test + LIBS base device cell_info symmetry + SOURCES unitcell_test.cpp) addtest( - TARGET - MODULE_CELL_cal_ux_test - LIBS - base - device - cell_info - SOURCES - test_cal_ux.cpp - ../cal_ux.cpp) + TARGET MODULE_CELL_cal_ux_test + LIBS base device cell_info + SOURCES test_cal_ux.cpp ../cal_ux.cpp) addtest( - TARGET - MODULE_CELL_read_orb_test - LIBS - base - device - cell_info - SOURCES - test_read_orb.cpp) + TARGET MODULE_CELL_read_orb_test + LIBS base device cell_info + SOURCES test_read_orb.cpp) addtest( - TARGET - MODULE_CELL_update_cell_test - LIBS - base - device - cell_info - SOURCES - test_update_cell.cpp) + TARGET MODULE_CELL_update_cell_test + LIBS base device cell_info + SOURCES test_update_cell.cpp) addtest( - TARGET - MODULE_CELL_cell_tools_test - LIBS - base - device - cell_info - SOURCES - test_cell_tools.cpp) + TARGET MODULE_CELL_cell_tools_test + LIBS base device cell_info + SOURCES test_cell_tools.cpp) addtest( - TARGET - MODULE_CELL_read_atom_species_test - LIBS - base - device - cell_info - SOURCES - test_read_atom_species.cpp) + TARGET MODULE_CELL_read_atom_species_test + LIBS base device cell_info + SOURCES test_read_atom_species.cpp) addtest( - TARGET - MODULE_CELL_read_atoms_test - LIBS - base - device - cell_info - SOURCES - test_read_atoms.cpp) + TARGET MODULE_CELL_read_atoms_test + LIBS base device cell_info + SOURCES test_read_atoms.cpp) addtest( - TARGET - MODULE_CELL_unitcell_index_test - LIBS - base - device - cell_info - symmetry - SOURCES - test_unitcell_index.cpp - ../magnetism.cpp) + TARGET MODULE_CELL_unitcell_index_test + LIBS base device cell_info symmetry + SOURCES test_unitcell_index.cpp ../magnetism.cpp) addtest( - TARGET - MODULE_CELL_print_cell_test - LIBS - base - device - cell_info - symmetry - SOURCES - test_print_cell.cpp) + TARGET MODULE_CELL_print_cell_test + LIBS base device cell_info symmetry + SOURCES test_print_cell.cpp) addtest( - TARGET - MODULE_CELL_unitcell_test_readpp - LIBS - base - device - cell_info - SOURCES - unitcell_test_readpp.cpp) + TARGET MODULE_CELL_unitcell_test_readpp + LIBS base device cell_info + SOURCES unitcell_test_readpp.cpp) addtest( - TARGET - MODULE_CELL_unitcell_test_para - LIBS - base - device - cell_info - SOURCES - unitcell_test_para.cpp) + TARGET MODULE_CELL_unitcell_test_para + LIBS base device cell_info + SOURCES unitcell_test_para.cpp) addtest( - TARGET - MODULE_CELL_unitcell_test_setupcell - LIBS - base - device - cell_info - SOURCES - unitcell_test_setupcell.cpp) + TARGET MODULE_CELL_unitcell_test_setupcell + LIBS base device cell_info + SOURCES unitcell_test_setupcell.cpp) add_test( NAME MODULE_CELL_unitcell_test_parallel @@ -404,24 +276,14 @@ add_test( WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) addtest( - TARGET - MODULE_CELL_index_test - LIBS - base - device - SOURCES - cell_index_test.cpp - ../cell_index.cpp) + TARGET MODULE_CELL_index_test + LIBS base device + SOURCES cell_index_test.cpp ../cell_index.cpp) addtest( - TARGET - MODULE_CELL_SEP_TEST - LIBS - base - device - SOURCES - test_read_sep.cpp - ../sep.cpp) + TARGET MODULE_CELL_SEP_TEST + LIBS base device + SOURCES test_read_sep.cpp ../sep.cpp) add_test( NAME MODULE_CELL_read_sep_parallel @@ -429,15 +291,9 @@ add_test( WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) addtest( - TARGET - MODULE_CELL_SEP_CELL_TEST - LIBS - base - device - SOURCES - test_sepcell.cpp - ../sep.cpp - ../sep_cell.cpp) + TARGET MODULE_CELL_SEP_CELL_TEST + LIBS base device + SOURCES test_sepcell.cpp ../sep.cpp ../sep_cell.cpp) add_test( NAME MODULE_CELL_sep_cell_parallel @@ -446,25 +302,14 @@ add_test( WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) addtest( - TARGET - MODULE_CELL_magnetism - LIBS - base - device - SOURCES - magnetism_test.cpp - ../magnetism.cpp) + TARGET MODULE_CELL_magnetism + LIBS base device + SOURCES magnetism_test.cpp ../magnetism.cpp) addtest( - TARGET - MODULE_CELL_cif_io - LIBS - parameter - base - device - SOURCES - cif_io_test.cpp - ../cif_io.cpp) + TARGET MODULE_CELL_cif_io + LIBS parameter base device + SOURCES cif_io_test.cpp ../cif_io.cpp) add_test( NAME MODULE_CELL_cif_io_parallel diff --git a/source/source_cell/test_pw/CMakeLists.txt b/source/source_cell/test_pw/CMakeLists.txt index 9378b783974..b19e95f91d5 100644 --- a/source/source_cell/test_pw/CMakeLists.txt +++ b/source/source_cell/test_pw/CMakeLists.txt @@ -7,41 +7,36 @@ abacus_disable_feature_definitions(__LCAO) abacus_copy_test_files(support unitcell_test_pw_para.sh) addtest( - TARGET - MODULE_CELL_unitcell_test_pw - LIBS - parameter - base - device - SOURCES - unitcell_test_pw.cpp - ../unitcell.cpp - ../unitcell_index.cpp - ../unitcell_stats.cpp - ../unitcell_setup.cpp - ../read_atoms.cpp - ../read_atoms_helper.cpp - ../cell_tools.cpp - ../atom_spec.cpp - ../update_cell.cpp - ../bcast_cell.cpp - ../atom_pseudo.cpp - ../pseudo.cpp - ../read_pp.cpp - ../read_pp_complete.cpp - ../read_pp_upf201.cpp - ../read_pp_upf100.cpp - ../read_stru.cpp - ../read_atom_species.cpp - ../read_pp_vwr.cpp - ../read_pp_blps.cpp - ../read_pp_ucell.cpp - ../cal_nelec_nband.cpp - ../../source_cell/read_orb.cpp - ../print_cell.cpp - ../cal_wfc.cpp - ../sep.cpp - ../sep_cell.cpp) + TARGET MODULE_CELL_unitcell_test_pw + LIBS parameter base device + SOURCES unitcell_test_pw.cpp + ../unitcell.cpp + ../unitcell_index.cpp + ../unitcell_stats.cpp + ../unitcell_setup.cpp + ../read_atoms.cpp + ../read_atoms_helper.cpp + ../cell_tools.cpp + ../atom_spec.cpp + ../update_cell.cpp + ../bcast_cell.cpp + ../atom_pseudo.cpp + ../pseudo.cpp + ../read_pp.cpp + ../read_pp_complete.cpp + ../read_pp_upf201.cpp + ../read_pp_upf100.cpp + ../read_stru.cpp + ../read_atom_species.cpp + ../read_pp_vwr.cpp + ../read_pp_blps.cpp + ../read_pp_ucell.cpp + ../cal_nelec_nband.cpp + ../../source_cell/read_orb.cpp + ../print_cell.cpp + ../cal_wfc.cpp + ../sep.cpp + ../sep_cell.cpp) find_program(BASH bash) add_test( diff --git a/source/source_esolver/CMakeLists.txt b/source/source_esolver/CMakeLists.txt index a463b96f176..870d10ebbcb 100644 --- a/source/source_esolver/CMakeLists.txt +++ b/source/source_esolver/CMakeLists.txt @@ -1,50 +1,45 @@ -list(APPEND objects - esolver_factory.cpp - esolver_ks.cpp - esolver_fp.cpp - esolver_ks_pw.cpp - esolver_ks_pw_tddft.cpp - esolver_ks_lcaopw.cpp - esolver_sdft_pw.cpp - esolver_lj.cpp - esolver_dp.cpp - esolver_nep.cpp - esolver_of.cpp - esolver_of_tddft.cpp - esolver_of_interface.cpp - esolver_of_tool.cpp - pw_others.cpp - esolver_dfpt_pw.cpp -) +list( + APPEND + objects + esolver_factory.cpp + esolver_ks.cpp + esolver_fp.cpp + esolver_ks_pw.cpp + esolver_ks_pw_tddft.cpp + esolver_ks_lcaopw.cpp + esolver_sdft_pw.cpp + esolver_lj.cpp + esolver_dp.cpp + esolver_nep.cpp + esolver_of.cpp + esolver_of_tddft.cpp + esolver_of_interface.cpp + esolver_of_tool.cpp + pw_others.cpp + esolver_dfpt_pw.cpp) if(ENABLE_LCAO) - list(APPEND objects - esolver_ks_lcao.cpp - esolver_ks_lcao_tddft.cpp - esolver_lr_orb.cpp - esolver_lr_init.cpp - esolver_lr_cfg.cpp - esolver_lr_lcao_tddft.cpp - esolver_lr_grad.cpp - esolver_lr_rlx.cpp - esolver_gets.cpp - lcao_others.cpp - esolver_dm2rho.cpp - esolver_double_xc.cpp - ) + list( + APPEND + objects + esolver_ks_lcao.cpp + esolver_ks_lcao_tddft.cpp + esolver_lr_orb.cpp + esolver_lr_init.cpp + esolver_lr_cfg.cpp + esolver_lr_lcao_tddft.cpp + esolver_lr_grad.cpp + esolver_lr_rlx.cpp + esolver_gets.cpp + lcao_others.cpp + esolver_dm2rho.cpp + esolver_double_xc.cpp) if(ENABLE_LIBRI) - list(APPEND objects - esolver_lr_lcao_bse.cpp - ) + list(APPEND objects esolver_lr_lcao_bse.cpp) endif() endif() -add_library( - esolver - OBJECT - ${objects} - ../source_pw/module_pwdft/exx_helper.cpp - ../source_pw/module_pwdft/exx_helper.h -) +add_library(esolver OBJECT ${objects} ../source_pw/module_pwdft/exx_helper.cpp + ../source_pw/module_pwdft/exx_helper.h) if(ENABLE_COVERAGE) add_coverage(esolver) diff --git a/source/source_esolver/test/CMakeLists.txt b/source/source_esolver/test/CMakeLists.txt index c422da223a3..6c8e5087223 100644 --- a/source/source_esolver/test/CMakeLists.txt +++ b/source/source_esolver/test/CMakeLists.txt @@ -1,10 +1,7 @@ abacus_disable_feature_definitions(__MPI) abacus_disable_feature_definitions(__LCAO) -set(_esolver_dp_test_libs - parameter - base - device) +set(_esolver_dp_test_libs parameter base device) if(DEFINED DeePMD_DIR) if(DeePMDC_FOUND) @@ -16,14 +13,12 @@ endif() abacus_copy_test_files(support) -AddTest( +addtest( TARGET MODULE_ESOLVER_esolver_dp_test LIBS ${_esolver_dp_test_libs} - SOURCES - esolver_dp_test.cpp - ../esolver_dp.cpp - ../../source_cell/basecell.cpp - ../../source_cell/cif_io.cpp - ../../source_cell/module_neighlist/neighbor_list.cpp - ../../source_io/module_output/output_log.cpp -) + SOURCES esolver_dp_test.cpp + ../esolver_dp.cpp + ../../source_cell/basecell.cpp + ../../source_cell/cif_io.cpp + ../../source_cell/module_neighlist/neighbor_list.cpp + ../../source_io/module_output/output_log.cpp) diff --git a/source/source_estate/CMakeLists.txt b/source/source_estate/CMakeLists.txt index b78f8422663..d983b7c6a98 100644 --- a/source/source_estate/CMakeLists.txt +++ b/source/source_estate/CMakeLists.txt @@ -1,95 +1,93 @@ -list(APPEND objects - elecstate.cpp - init_scf.cpp - estate_e_terms.cpp - elecstate_energy.cpp - elecstate_exx.cpp - elecstate_print.cpp - elecstate_tools.cpp - elecstate_pw.cpp - uspp_density.cpp - elecstate_pw_sdft.cpp - elecstate_pw_cal_tau.cpp - makov_payne.cpp - charge_moments.cpp - pcc_0d.cpp - pcc_2d.cpp - module_pot/gatefield.cpp - module_pot/efield.cpp - module_pot/h_hartree_pw.cpp - module_pot/h_tddft_pw.cpp - module_pot/pot_xc.cpp - module_pot/pot_local.cpp - module_pot/pot_pcc.cpp - module_pot/pot_sccs.cpp - module_pot/sccs_pcc_0d.cpp - module_pot/sccs_pcc_2d.cpp - module_pot/potential_new.cpp - module_pot/potential_types.cpp - module_pot/pot_surchem.cpp - module_pot/pot_ml_exx.cpp - module_pot/pot_ml_exx_label.cpp - module_pot/pot_sep.cpp - module_pot/pot_xc_fdm.cpp - module_pot/pot_cosikr.cpp - module_pot/td_field.cpp - module_pot/td_field_profiles.cpp - module_pot/td_field_manager.cpp - module_charge/chg_routine.cpp - module_charge/charge.cpp - module_charge/chg_atomic.cpp - module_charge/chg_atomic_inner.cpp - module_charge/chg_init.cpp - module_charge/chg_tools.cpp - module_charge/chg_parallel.cpp - module_charge/chg_extra.cpp - module_charge/chg_mix.cpp - module_charge/chg_mix_rho.cpp - module_charge/chg_dmr.cpp - module_charge/chg_drho.cpp - module_charge/chg_drho_inner.cpp - module_charge/chg_precond.cpp - module_charge/chg_tau.cpp - module_charge/chg_symm.cpp - module_charge/chg_uspp.cpp - module_charge/chg_symm_detail.cpp - module_charge/chg_rhog_io.cpp - write_elecstat_pot.cpp - write_init.cpp - fp_energy.cpp - occupy.cpp - occ_matrix.cpp - occ_comput.cpp - occ_mixer.cpp - param_update.cpp - setup_estate_pw.cpp - update_pot.cpp -) +list( + APPEND + objects + elecstate.cpp + init_scf.cpp + estate_e_terms.cpp + elecstate_energy.cpp + elecstate_exx.cpp + elecstate_print.cpp + elecstate_tools.cpp + elecstate_pw.cpp + uspp_density.cpp + elecstate_pw_sdft.cpp + elecstate_pw_cal_tau.cpp + makov_payne.cpp + charge_moments.cpp + pcc_0d.cpp + pcc_2d.cpp + module_pot/gatefield.cpp + module_pot/efield.cpp + module_pot/h_hartree_pw.cpp + module_pot/h_tddft_pw.cpp + module_pot/pot_xc.cpp + module_pot/pot_local.cpp + module_pot/pot_pcc.cpp + module_pot/pot_sccs.cpp + module_pot/sccs_pcc_0d.cpp + module_pot/sccs_pcc_2d.cpp + module_pot/potential_new.cpp + module_pot/potential_types.cpp + module_pot/pot_surchem.cpp + module_pot/pot_ml_exx.cpp + module_pot/pot_ml_exx_label.cpp + module_pot/pot_sep.cpp + module_pot/pot_xc_fdm.cpp + module_pot/pot_cosikr.cpp + module_pot/td_field.cpp + module_pot/td_field_profiles.cpp + module_pot/td_field_manager.cpp + module_charge/chg_routine.cpp + module_charge/charge.cpp + module_charge/chg_atomic.cpp + module_charge/chg_atomic_inner.cpp + module_charge/chg_init.cpp + module_charge/chg_tools.cpp + module_charge/chg_parallel.cpp + module_charge/chg_extra.cpp + module_charge/chg_mix.cpp + module_charge/chg_mix_rho.cpp + module_charge/chg_dmr.cpp + module_charge/chg_drho.cpp + module_charge/chg_drho_inner.cpp + module_charge/chg_precond.cpp + module_charge/chg_tau.cpp + module_charge/chg_symm.cpp + module_charge/chg_uspp.cpp + module_charge/chg_symm_detail.cpp + module_charge/chg_rhog_io.cpp + write_elecstat_pot.cpp + write_init.cpp + fp_energy.cpp + occupy.cpp + occ_matrix.cpp + occ_comput.cpp + occ_mixer.cpp + param_update.cpp + setup_estate_pw.cpp + update_pot.cpp) if(ENABLE_LCAO) - list(APPEND objects - elecstate_lcao.cpp - module_dm/dm_routine.cpp - module_dm/density_matrix.cpp - module_dm/dmr_gamma.cpp - module_dm/dm_tools.cpp - module_dm/dmr_k.cpp - module_dm/dmr_td.cpp - module_dm/dmr_full.cpp - module_dm/dmr_init.cpp - module_dm/dm_setter.cpp - module_dm/dm_getter.cpp - module_dm/dm_from_psi.cpp - module_dm/edm_tddft.cpp - module_dm/edm_tddft_lapack.cpp - ) + list( + APPEND + objects + elecstate_lcao.cpp + module_dm/dm_routine.cpp + module_dm/density_matrix.cpp + module_dm/dmr_gamma.cpp + module_dm/dm_tools.cpp + module_dm/dmr_k.cpp + module_dm/dmr_td.cpp + module_dm/dmr_full.cpp + module_dm/dmr_init.cpp + module_dm/dm_setter.cpp + module_dm/dm_getter.cpp + module_dm/dm_from_psi.cpp + module_dm/edm_tddft.cpp + module_dm/edm_tddft_lapack.cpp) endif() -add_library( - elecstate - OBJECT - ${objects} -) +add_library(elecstate OBJECT ${objects}) if(ENABLE_COVERAGE) add_coverage(elecstate) diff --git a/source/source_estate/kernels/test/CMakeLists.txt b/source/source_estate/kernels/test/CMakeLists.txt index f6f63d3891a..ee53e35c187 100644 --- a/source/source_estate/kernels/test/CMakeLists.txt +++ b/source/source_estate/kernels/test/CMakeLists.txt @@ -4,8 +4,7 @@ abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__MLALGO) -AddTest( - TARGET Elecstate_Kernels_UTs - LIBS parameter psi base device - SOURCES elecstate_op_test.cpp -) +addtest( + TARGET Elecstate_Kernels_UTs + LIBS parameter psi base device + SOURCES elecstate_op_test.cpp) diff --git a/source/source_estate/module_charge/unittests/CMakeLists.txt b/source/source_estate/module_charge/unittests/CMakeLists.txt index ada249002e2..f83748a9c7e 100644 --- a/source/source_estate/module_charge/unittests/CMakeLists.txt +++ b/source/source_estate/module_charge/unittests/CMakeLists.txt @@ -7,159 +7,164 @@ abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__MLALGO) abacus_disable_feature_definitions(_OPENMP) -if (ENABLE_MPI) - -AddTest( - TARGET MODULE_CHARGE_rhog_io - LIBS parameter base device planewave - SOURCES test_chg_rhog_io.cpp ../chg_rhog_io.cpp ../../../source_basis/module_pw/test/test_tool.cpp - # This test drives PW_Basis::initmpi and read/write_rhog's MPI collectives, - # so it must keep __MPI even though this directory disables it. Its main() - # calls MPI_Init via test_tool.cpp's setupmpi(). - KEEP_FEATURE_DEFINITIONS __MPI -) - -AddTest( - TARGET MODULE_CHARGE_charge - LIBS parameter planewave_serial base device cell_info - SOURCES test_charge.cpp ../charge.cpp ../chg_atomic.cpp ../chg_atomic_inner.cpp ../chg_tools.cpp -) - -AddTest( - TARGET MODULE_CHARGE_extra - LIBS parameter base device cell_info - SOURCES test_chg_extra.cpp ../chg_extra.cpp ../../../source_io/module_output/read_cube.cpp ../../../source_io/module_output/write_cube.cpp - ../../../source_base/module_fft/fft_bundle.cpp ../../../source_base/module_fft/fft_cpu.cpp -) - -AddTest( - TARGET MODULE_CHARGE_tools - LIBS parameter planewave_serial base device cell_info - SOURCES test_chg_tools.cpp ../chg_tools.cpp -) - -AddTest( - TARGET MODULE_CHARGE_uspp - LIBS base device - SOURCES test_chg_uspp.cpp ../chg_uspp.cpp -) - -AddTest( - TARGET MODULE_CHARGE_dmr - LIBS base device - SOURCES test_chg_dmr.cpp ../chg_dmr.cpp -) - -AddTest( - TARGET MODULE_CHARGE_precond - LIBS base device planewave_serial - SOURCES test_chg_precond.cpp ../chg_precond.cpp -) - -AddTest( - TARGET MODULE_CHARGE_drho - LIBS parameter planewave_serial base device cell_info - SOURCES test_chg_drho.cpp ../chg_drho.cpp ../chg_drho_inner.cpp ../charge.cpp ../chg_tools.cpp -) - -AddTest( - TARGET MODULE_CHARGE_drho_inner - LIBS base device planewave_serial - SOURCES test_chg_drho_inner.cpp ../chg_drho_inner.cpp -) - -AddTest( - TARGET MODULE_CHARGE_mix_rho - LIBS parameter base psi device planewave_serial cell_info - SOURCES test_chg_mix_rho.cpp - ../chg_mix.cpp ../chg_mix_rho.cpp - ../chg_dmr.cpp - ../chg_drho.cpp - ../chg_drho_inner.cpp - ../chg_precond.cpp ../chg_tau.cpp - ../chg_uspp.cpp - ../charge.cpp ../chg_tools.cpp -) - -AddTest( - TARGET MODULE_CHARGE_mix - LIBS parameter base psi device planewave_serial cell_info - SOURCES test_chg_mix.cpp - ../chg_mix.cpp ../chg_mix_rho.cpp - ../chg_dmr.cpp - ../chg_drho.cpp - ../chg_drho_inner.cpp - ../chg_precond.cpp ../chg_tau.cpp - ../chg_uspp.cpp -) - -AddTest( - TARGET MODULE_CHARGE_symm - LIBS parameter base device cell_info planewave_serial symmetry - SOURCES test_chg_symm.cpp ../chg_symm.cpp ../chg_symm_detail.cpp ../charge.cpp ../chg_tools.cpp -) - -AddTest( - TARGET MODULE_CHARGE_symm_detail - LIBS base device cell_info planewave_serial symmetry - SOURCES test_chg_symm_detail.cpp ../chg_symm_detail.cpp -) - -AddTest( - TARGET MODULE_CHARGE_atomic_inner - LIBS parameter base device cell_info planewave_serial - SOURCES test_chg_atomic_inner.cpp ../chg_atomic_inner.cpp ../charge.cpp ../chg_tools.cpp -) - -AddTest( - TARGET MODULE_CHARGE_atomic - LIBS parameter base device cell_info planewave_serial - SOURCES test_chg_atomic.cpp ../chg_atomic.cpp ../chg_atomic_inner.cpp ../charge.cpp ../chg_tools.cpp -) - -AddTest( - TARGET MODULE_CHARGE_tau - LIBS parameter base psi device planewave_serial cell_info - SOURCES test_chg_tau.cpp ../chg_tau.cpp ../chg_uspp.cpp ../charge.cpp ../chg_tools.cpp -) - -# MODULE_CHARGE_routine is temporarily disabled: chg_routine.cpp couples to -# heavy external symbols (Plus_U_Base from source_pw/module_pwdft, elecstate -# ::update_pot / ElecState::cal_energies) whose transitive dependencies are -# hard to satisfy in this test; chg_mix_rho.cpp also calls -# module_charge::detail::mix_tau_recip so chg_tau.cpp must be linked too. -# TODO: untangle this deep coupling later before re-enabling. -# AddTest( -# TARGET MODULE_CHARGE_routine -# LIBS parameter base psi device planewave_serial cell_info -# SOURCES test_chg_routine.cpp ../chg_routine.cpp ../chg_dmr.cpp ../charge.cpp ../chg_tools.cpp -# ../chg_mix.cpp ../chg_mix_rho.cpp ../chg_drho.cpp ../chg_drho_inner.cpp ../chg_precond.cpp ../chg_uspp.cpp -# ) - -# MODULE_CHARGE_init is temporarily disabled: chg_init.cpp pulls in symbols -# from source_io (ModuleIO::read_vdata_palgrid, ModuleIO::read_wf2rho_pw, -# Restart::read_file2) whose dependency chains are complex (read_wf2rho_pw -# alone drags in chg_parallel/chg_symm/elecstate_op), and the test file also -# stubs GlobalC::restart which conflicts with linking the real restart.cpp. -# TODO: resolve this dependency issue later before re-enabling. -# AddTest( -# TARGET MODULE_CHARGE_init -# LIBS parameter base device cell_info planewave_serial -# SOURCES test_chg_init.cpp ../chg_init.cpp ../chg_atomic.cpp ../chg_atomic_inner.cpp ../chg_rhog_io.cpp ../charge.cpp ../chg_tools.cpp -# ) - -AddTest( - TARGET MODULE_CHARGE_parallel - LIBS parameter psi base device planewave - SOURCES test_chg_parallel.cpp ../chg_parallel.cpp - # Real MPI test: its main() calls MPI_Init unconditionally, so it must keep - # __MPI despite this directory disabling it. - KEEP_FEATURE_DEFINITIONS __MPI -) - -add_test(NAME MODULE_CHARGE_parallel_4np - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +if(ENABLE_MPI) + + addtest( + TARGET MODULE_CHARGE_rhog_io + LIBS parameter base device planewave + SOURCES + test_chg_rhog_io.cpp + ../chg_rhog_io.cpp + ../../../source_basis/module_pw/test/test_tool.cpp + # This test drives PW_Basis::initmpi and read/write_rhog's MPI collectives, + # so it must keep __MPI even though this directory disables it. Its main() + # calls MPI_Init via test_tool.cpp's setupmpi(). + KEEP_FEATURE_DEFINITIONS + __MPI) + + addtest( + TARGET MODULE_CHARGE_charge + LIBS parameter planewave_serial base device cell_info + SOURCES test_charge.cpp ../charge.cpp ../chg_atomic.cpp + ../chg_atomic_inner.cpp ../chg_tools.cpp) + + addtest( + TARGET MODULE_CHARGE_extra + LIBS parameter base device cell_info + SOURCES test_chg_extra.cpp + ../chg_extra.cpp + ../../../source_io/module_output/read_cube.cpp + ../../../source_io/module_output/write_cube.cpp + ../../../source_base/module_fft/fft_bundle.cpp + ../../../source_base/module_fft/fft_cpu.cpp) + + addtest( + TARGET MODULE_CHARGE_tools + LIBS parameter planewave_serial base device cell_info + SOURCES test_chg_tools.cpp ../chg_tools.cpp) + + addtest( + TARGET MODULE_CHARGE_uspp + LIBS base device + SOURCES test_chg_uspp.cpp ../chg_uspp.cpp) + + addtest( + TARGET MODULE_CHARGE_dmr + LIBS base device + SOURCES test_chg_dmr.cpp ../chg_dmr.cpp) + + addtest( + TARGET MODULE_CHARGE_precond + LIBS base device planewave_serial + SOURCES test_chg_precond.cpp ../chg_precond.cpp) + + addtest( + TARGET MODULE_CHARGE_drho + LIBS parameter planewave_serial base device cell_info + SOURCES test_chg_drho.cpp ../chg_drho.cpp ../chg_drho_inner.cpp + ../charge.cpp ../chg_tools.cpp) + + addtest( + TARGET MODULE_CHARGE_drho_inner + LIBS base device planewave_serial + SOURCES test_chg_drho_inner.cpp ../chg_drho_inner.cpp) + + addtest( + TARGET MODULE_CHARGE_mix_rho + LIBS parameter base psi device planewave_serial cell_info + SOURCES test_chg_mix_rho.cpp + ../chg_mix.cpp + ../chg_mix_rho.cpp + ../chg_dmr.cpp + ../chg_drho.cpp + ../chg_drho_inner.cpp + ../chg_precond.cpp + ../chg_tau.cpp + ../chg_uspp.cpp + ../charge.cpp + ../chg_tools.cpp) + + addtest( + TARGET MODULE_CHARGE_mix + LIBS parameter base psi device planewave_serial cell_info + SOURCES test_chg_mix.cpp + ../chg_mix.cpp + ../chg_mix_rho.cpp + ../chg_dmr.cpp + ../chg_drho.cpp + ../chg_drho_inner.cpp + ../chg_precond.cpp + ../chg_tau.cpp + ../chg_uspp.cpp) + + addtest( + TARGET MODULE_CHARGE_symm + LIBS parameter base device cell_info planewave_serial symmetry + SOURCES test_chg_symm.cpp ../chg_symm.cpp ../chg_symm_detail.cpp + ../charge.cpp ../chg_tools.cpp) + + addtest( + TARGET MODULE_CHARGE_symm_detail + LIBS base device cell_info planewave_serial symmetry + SOURCES test_chg_symm_detail.cpp ../chg_symm_detail.cpp) + + addtest( + TARGET MODULE_CHARGE_atomic_inner + LIBS parameter base device cell_info planewave_serial + SOURCES test_chg_atomic_inner.cpp ../chg_atomic_inner.cpp ../charge.cpp + ../chg_tools.cpp) + + addtest( + TARGET MODULE_CHARGE_atomic + LIBS parameter base device cell_info planewave_serial + SOURCES test_chg_atomic.cpp ../chg_atomic.cpp ../chg_atomic_inner.cpp + ../charge.cpp ../chg_tools.cpp) + + addtest( + TARGET MODULE_CHARGE_tau + LIBS parameter base psi device planewave_serial cell_info + SOURCES test_chg_tau.cpp ../chg_tau.cpp ../chg_uspp.cpp ../charge.cpp + ../chg_tools.cpp) + + # MODULE_CHARGE_routine is temporarily disabled: chg_routine.cpp couples to + # heavy external symbols (Plus_U_Base from source_pw/module_pwdft, elecstate + # ::update_pot / ElecState::cal_energies) whose transitive dependencies are + # hard to satisfy in this test; chg_mix_rho.cpp also calls + # module_charge::detail::mix_tau_recip so chg_tau.cpp must be linked too. + # TODO: untangle this deep coupling later before re-enabling. + # AddTest( + # TARGET MODULE_CHARGE_routine + # LIBS parameter base psi device planewave_serial cell_info + # SOURCES test_chg_routine.cpp ../chg_routine.cpp ../chg_dmr.cpp ../charge.cpp ../chg_tools.cpp + # ../chg_mix.cpp ../chg_mix_rho.cpp ../chg_drho.cpp ../chg_drho_inner.cpp ../chg_precond.cpp ../chg_uspp.cpp + # ) + + # MODULE_CHARGE_init is temporarily disabled: chg_init.cpp pulls in symbols + # from source_io (ModuleIO::read_vdata_palgrid, ModuleIO::read_wf2rho_pw, + # Restart::read_file2) whose dependency chains are complex (read_wf2rho_pw + # alone drags in chg_parallel/chg_symm/elecstate_op), and the test file also + # stubs GlobalC::restart which conflicts with linking the real restart.cpp. + # TODO: resolve this dependency issue later before re-enabling. + # AddTest( + # TARGET MODULE_CHARGE_init + # LIBS parameter base device cell_info planewave_serial + # SOURCES test_chg_init.cpp ../chg_init.cpp ../chg_atomic.cpp ../chg_atomic_inner.cpp ../chg_rhog_io.cpp ../charge.cpp ../chg_tools.cpp + # ) + + addtest( + TARGET MODULE_CHARGE_parallel + LIBS parameter psi base device planewave + SOURCES + test_chg_parallel.cpp + ../chg_parallel.cpp + # Real MPI test: its main() calls MPI_Init unconditionally, so it must keep + # __MPI despite this directory disabling it. + KEEP_FEATURE_DEFINITIONS + __MPI) + + add_test( + NAME MODULE_CHARGE_parallel_4np + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) endif() diff --git a/source/source_estate/module_dm/unittests/CMakeLists.txt b/source/source_estate/module_dm/unittests/CMakeLists.txt index b17adebee39..f98ae60c3e3 100644 --- a/source/source_estate/module_dm/unittests/CMakeLists.txt +++ b/source/source_estate/module_dm/unittests/CMakeLists.txt @@ -5,56 +5,87 @@ abacus_disable_feature_definitions(__ROCM) abacus_copy_test_files(support) if(ENABLE_MPI) -AddTest( - TARGET MODULE_ESTATE_dm_constructor_test - LIBS parameter base device symmetry - SOURCES test_dm_constructor.cpp ../density_matrix.cpp ../dmr_gamma.cpp ../dmr_init.cpp ../dm_setter.cpp ../dm_getter.cpp tmp_mocks.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp - ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp - ${ABACUS_SOURCE_DIR}/source_cell/klist.cpp ${ABACUS_SOURCE_DIR}/source_cell/klist_io.cpp - ${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp - ${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp -) + addtest( + TARGET MODULE_ESTATE_dm_constructor_test + LIBS parameter base device symmetry + SOURCES test_dm_constructor.cpp + ../density_matrix.cpp + ../dmr_gamma.cpp + ../dmr_init.cpp + ../dm_setter.cpp + ../dm_getter.cpp + tmp_mocks.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp + ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp + ${ABACUS_SOURCE_DIR}/source_cell/klist.cpp + ${ABACUS_SOURCE_DIR}/source_cell/klist_io.cpp + ${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp + ${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp) -AddTest( - TARGET MODULE_ESTATE_dm_init_test - LIBS parameter base device symmetry - SOURCES test_dm_r_init.cpp ../density_matrix.cpp ../dmr_gamma.cpp ../dmr_init.cpp ../dm_setter.cpp ../dm_getter.cpp tmp_mocks.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp - ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp - ${ABACUS_SOURCE_DIR}/source_cell/klist.cpp ${ABACUS_SOURCE_DIR}/source_cell/klist_io.cpp - ${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp - ${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp -) + addtest( + TARGET MODULE_ESTATE_dm_init_test + LIBS parameter base device symmetry + SOURCES test_dm_r_init.cpp + ../density_matrix.cpp + ../dmr_gamma.cpp + ../dmr_init.cpp + ../dm_setter.cpp + ../dm_getter.cpp + tmp_mocks.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp + ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp + ${ABACUS_SOURCE_DIR}/source_cell/klist.cpp + ${ABACUS_SOURCE_DIR}/source_cell/klist_io.cpp + ${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp + ${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp) endif() # The calculation fixture initializes both serial and distributed orbital layouts. -AddTest( +addtest( TARGET MODULE_ESTATE_dm_cal_DMR_test LIBS parameter base device symmetry - SOURCES test_cal_dm_r.cpp ../density_matrix.cpp ../dmr_gamma.cpp ../dmr_init.cpp ../dm_setter.cpp ../dm_getter.cpp ../dm_tools.cpp ../dmr_k.cpp ../dmr_td.cpp ../dmr_full.cpp tmp_mocks.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp - ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp - ${ABACUS_SOURCE_DIR}/source_cell/klist.cpp ${ABACUS_SOURCE_DIR}/source_cell/klist_io.cpp - ${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp - ${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp -) + SOURCES test_cal_dm_r.cpp + ../density_matrix.cpp + ../dmr_gamma.cpp + ../dmr_init.cpp + ../dm_setter.cpp + ../dm_getter.cpp + ../dm_tools.cpp + ../dmr_k.cpp + ../dmr_td.cpp + ../dmr_full.cpp + tmp_mocks.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp + ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp + ${ABACUS_SOURCE_DIR}/source_cell/klist.cpp + ${ABACUS_SOURCE_DIR}/source_cell/klist_io.cpp + ${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp + ${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp) if(ENABLE_MPI) -AddTest( - TARGET MODULE_ESTATE_dm_soc_magnetization_roundtrip_test - LIBS parameter base device - SOURCES test_soc_magnetization_roundtrip.cpp ../density_matrix.cpp ../dmr_gamma.cpp ../dmr_init.cpp ../dm_setter.cpp ../dm_getter.cpp ../dm_tools.cpp ../dmr_k.cpp ../dmr_td.cpp ../dmr_full.cpp tmp_mocks.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp - ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp -) + addtest( + TARGET MODULE_ESTATE_dm_soc_magnetization_roundtrip_test + LIBS parameter base device + SOURCES test_soc_magnetization_roundtrip.cpp + ../density_matrix.cpp + ../dmr_gamma.cpp + ../dmr_init.cpp + ../dm_setter.cpp + ../dm_getter.cpp + ../dm_tools.cpp + ../dmr_k.cpp + ../dmr_td.cpp + ../dmr_full.cpp + tmp_mocks.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp + ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp) endif() diff --git a/source/source_estate/test/CMakeLists.txt b/source/source_estate/test/CMakeLists.txt index 6a4036fe388..24c1b8ab264 100644 --- a/source/source_estate/test/CMakeLists.txt +++ b/source/source_estate/test/CMakeLists.txt @@ -7,137 +7,150 @@ abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__MLALGO) abacus_disable_feature_definitions(_OPENMP) -AddTest( +addtest( TARGET MODULE_ESTATE_charge_moments LIBS base device - SOURCES test_charge_moments.cpp ../charge_moments.cpp -) + SOURCES test_charge_moments.cpp ../charge_moments.cpp) -AddTest( +addtest( TARGET MODULE_ESTATE_pcc_0d LIBS base device - SOURCES test_pcc_0d.cpp ../pcc_0d.cpp ../charge_moments.cpp ../../source_cell/cell_geometry.cpp -) + SOURCES test_pcc_0d.cpp ../pcc_0d.cpp ../charge_moments.cpp + ../../source_cell/cell_geometry.cpp) -AddTest( +addtest( TARGET MODULE_ESTATE_pcc_2d LIBS base device - SOURCES test_pcc_2d.cpp ../pcc_2d.cpp ../charge_moments.cpp ../../source_cell/cell_geometry.cpp -) - -if (ENABLE_MPI) - -set(pcc_test_sources - ../module_pot/pot_pcc.cpp ../pcc_0d.cpp ../pcc_2d.cpp ../charge_moments.cpp - ../../source_cell/cell_geometry.cpp ../../source_cell/cell_tools.cpp - ../../source_cell/atom_spec.cpp ../../source_cell/atom_pseudo.cpp ../../source_cell/pseudo.cpp -) - -AddTest( - TARGET MODULE_ESTATE_pot_pcc - LIBS parameter base device planewave_serial - SOURCES test_pot_pcc.cpp ${pcc_test_sources} -) - -abacus_copy_test_files(support) - -AddTest( - TARGET MODULE_ESTATE_Elecstate_Op_UTs - LIBS parameter psi base device - SOURCES ../kernels/test/elecstate_op_test.cpp -) - -if(USE_CUDA) - target_compile_definitions(MODULE_ESTATE_Elecstate_Op_UTs PRIVATE __UT_USE_CUDA) -elseif(USE_ROCM) - target_compile_definitions(MODULE_ESTATE_Elecstate_Op_UTs PRIVATE __UT_USE_ROCM) -endif() - -AddTest( - TARGET MODULE_ESTATE_elecstate_occupy - LIBS parameter base device - SOURCES elecstate_occupy_test.cpp ../occupy.cpp -) - -AddTest( - TARGET MODULE_ESTATE_elecstate_fp_energy - LIBS parameter base device - SOURCES elecstate_fp_energy_test.cpp ../fp_energy.cpp -) - -AddTest( - TARGET MODULE_ESTATE_elecstate_print - LIBS parameter base device symmetry - SOURCES elecstate_print_test.cpp ../elecstate_print.cpp ../occupy.cpp - ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/reciprocal_grid.cpp -) - -AddTest( - TARGET MODULE_ESTATE_elecstate_base - KEEP_FEATURE_DEFINITIONS __MPI - LIBS parameter base device symmetry - SOURCES elecstate_base_test.cpp ../elecstate.cpp ../elecstate_tools.cpp ../occupy.cpp ../../source_psi/psi.cpp - ../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp - ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/reciprocal_grid.cpp -) - -AddTest( - TARGET MODULE_ESTATE_elecstate_pw - LIBS parameter planewave_serial base device symmetry - SOURCES elecstate_pw_test.cpp - ../elecstate_pw.cpp - ../uspp_density.cpp - ../elecstate_pw_cal_tau.cpp - ../elecstate.cpp - ../occupy.cpp - ../module_charge/chg_parallel.cpp - ../../source_lcao/module_deltaspin/spin_constrain.cpp - ../../source_lcao/module_deltaspin/deltaspin_state.cpp - ../../source_psi/psi.cpp - ../../source_base/module_device/memory_op.cpp - ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/reciprocal_grid.cpp -) - -AddTest( - TARGET MODULE_ESTATE_elecstate_energy - LIBS parameter base device planewave_serial symmetry - SOURCES elecstate_energy_test.cpp - ../elecstate_energy.cpp - ../fp_energy.cpp - ../makov_payne.cpp - ../module_pot/h_hartree_pw.cpp - ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/reciprocal_grid.cpp -) - -AddTest( - TARGET MODULE_ESTATE_potentials_base - SOURCES potentials_base_test.cpp -) - -AddTest( - TARGET MODULE_ESTATE_occ_mixer - LIBS parameter base device cell_info - SOURCES test_occ_mixer.cpp ../occ_mixer.cpp ../occ_matrix.cpp -) - -AddTest( - TARGET MODULE_ESTATE_occ_matrix - LIBS parameter base device cell_info - SOURCES test_occ_matrix.cpp ../occ_matrix.cpp -) - -AddTest( - TARGET MODULE_ESTATE_occ_comput - LIBS parameter base device - SOURCES test_occ_comput.cpp ../occ_comput.cpp -) - -AddTest( - TARGET MODULE_ESTATE_potentials_new - LIBS parameter base device planewave_serial - SOURCES potential_new_test.cpp td_field_test.cpp ../module_pot/potential_new.cpp - ../module_pot/td_field.cpp ../module_pot/td_field_profiles.cpp ../module_pot/td_field_manager.cpp - ${pcc_test_sources} -) + SOURCES test_pcc_2d.cpp ../pcc_2d.cpp ../charge_moments.cpp + ../../source_cell/cell_geometry.cpp) + +if(ENABLE_MPI) + + set(pcc_test_sources + ../module_pot/pot_pcc.cpp + ../pcc_0d.cpp + ../pcc_2d.cpp + ../charge_moments.cpp + ../../source_cell/cell_geometry.cpp + ../../source_cell/cell_tools.cpp + ../../source_cell/atom_spec.cpp + ../../source_cell/atom_pseudo.cpp + ../../source_cell/pseudo.cpp) + + addtest( + TARGET MODULE_ESTATE_pot_pcc + LIBS parameter base device planewave_serial + SOURCES test_pot_pcc.cpp ${pcc_test_sources}) + + abacus_copy_test_files(support) + + addtest( + TARGET MODULE_ESTATE_Elecstate_Op_UTs + LIBS parameter psi base device + SOURCES ../kernels/test/elecstate_op_test.cpp) + + if(USE_CUDA) + target_compile_definitions(MODULE_ESTATE_Elecstate_Op_UTs + PRIVATE __UT_USE_CUDA) + elseif(USE_ROCM) + target_compile_definitions(MODULE_ESTATE_Elecstate_Op_UTs + PRIVATE __UT_USE_ROCM) + endif() + + addtest( + TARGET MODULE_ESTATE_elecstate_occupy + LIBS parameter base device + SOURCES elecstate_occupy_test.cpp ../occupy.cpp) + + addtest( + TARGET MODULE_ESTATE_elecstate_fp_energy + LIBS parameter base device + SOURCES elecstate_fp_energy_test.cpp ../fp_energy.cpp) + + addtest( + TARGET MODULE_ESTATE_elecstate_print + LIBS parameter base device symmetry + SOURCES elecstate_print_test.cpp + ../elecstate_print.cpp + ../occupy.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/reciprocal_grid.cpp) + + addtest( + TARGET MODULE_ESTATE_elecstate_base KEEP_FEATURE_DEFINITIONS __MPI + LIBS parameter base device symmetry + SOURCES elecstate_base_test.cpp + ../elecstate.cpp + ../elecstate_tools.cpp + ../occupy.cpp + ../../source_psi/psi.cpp + ../../source_base/module_fft/fft_bundle.cpp + ../../source_base/module_fft/fft_cpu.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/reciprocal_grid.cpp) + + addtest( + TARGET MODULE_ESTATE_elecstate_pw + LIBS parameter planewave_serial base device symmetry + SOURCES elecstate_pw_test.cpp + ../elecstate_pw.cpp + ../uspp_density.cpp + ../elecstate_pw_cal_tau.cpp + ../elecstate.cpp + ../occupy.cpp + ../module_charge/chg_parallel.cpp + ../../source_lcao/module_deltaspin/spin_constrain.cpp + ../../source_lcao/module_deltaspin/deltaspin_state.cpp + ../../source_psi/psi.cpp + ../../source_base/module_device/memory_op.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/reciprocal_grid.cpp) + + addtest( + TARGET MODULE_ESTATE_elecstate_energy + LIBS parameter base device planewave_serial symmetry + SOURCES elecstate_energy_test.cpp + ../elecstate_energy.cpp + ../fp_energy.cpp + ../makov_payne.cpp + ../module_pot/h_hartree_pw.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/reciprocal_grid.cpp) + + addtest(TARGET MODULE_ESTATE_potentials_base SOURCES potentials_base_test.cpp) + + addtest( + TARGET MODULE_ESTATE_occ_mixer + LIBS parameter base device cell_info + SOURCES test_occ_mixer.cpp ../occ_mixer.cpp ../occ_matrix.cpp) + + addtest( + TARGET MODULE_ESTATE_occ_matrix + LIBS parameter base device cell_info + SOURCES test_occ_matrix.cpp ../occ_matrix.cpp) + + addtest( + TARGET MODULE_ESTATE_occ_comput + LIBS parameter base device + SOURCES test_occ_comput.cpp ../occ_comput.cpp) + + addtest( + TARGET MODULE_ESTATE_potentials_new + LIBS parameter base device planewave_serial + SOURCES potential_new_test.cpp + td_field_test.cpp + ../module_pot/potential_new.cpp + ../module_pot/td_field.cpp + ../module_pot/td_field_profiles.cpp + ../module_pot/td_field_manager.cpp + ${pcc_test_sources}) endif() diff --git a/source/source_hamilt/CMakeLists.txt b/source/source_hamilt/CMakeLists.txt index d0cdba7a1ef..d8874fcae42 100644 --- a/source/source_hamilt/CMakeLists.txt +++ b/source/source_hamilt/CMakeLists.txt @@ -8,18 +8,10 @@ if(ENABLE_LCAO) add_subdirectory(module_gint) endif() -list(APPEND objects - operator.cpp - hs_matrix_k.cpp - module_ewald/h_ewald_pw.cpp - module_ewald/dnrm2.cpp -) +list(APPEND objects operator.cpp hs_matrix_k.cpp module_ewald/h_ewald_pw.cpp + module_ewald/dnrm2.cpp) -add_library( - hamilt_general - OBJECT - ${objects} -) +add_library(hamilt_general OBJECT ${objects}) if(ENABLE_COVERAGE) add_coverage(hamilt_general) diff --git a/source/source_hamilt/module_gint/CMakeLists.txt b/source/source_hamilt/module_gint/CMakeLists.txt index 28c5f2aed15..3a7ec2d1cbc 100644 --- a/source/source_hamilt/module_gint/CMakeLists.txt +++ b/source/source_hamilt/module_gint/CMakeLists.txt @@ -1,7 +1,9 @@ #add_subdirectory(kernels/cuda) if(ENABLE_LCAO) -list(APPEND objects + list( + APPEND + objects biggrid_info.cpp big_grid.cpp divide_info.cpp @@ -26,10 +28,11 @@ list(APPEND objects unitcell_info.cpp gint_common.cpp gint_interface.cpp - gint_prec_ctrl.cpp - ) -if(USE_CUDA) - list(APPEND objects + gint_prec_ctrl.cpp) + if(USE_CUDA) + list( + APPEND + objects kernel/gint_gpu_vars.cpp kernel/phi_operator_gpu.cu kernel/phi_operator_kernel.cu @@ -43,22 +46,17 @@ if(USE_CUDA) gint_vl_mgga_n4_gpu.cpp gint_tau_gpu.cpp gint_fvl_meta_gpu.cpp - kernel/dgemm_vbatch.cu - ) -endif() + kernel/dgemm_vbatch.cu) + endif() -add_library( - gint - OBJECT - ${objects} -) + add_library(gint OBJECT ${objects}) -if(BUILD_TESTING) - add_subdirectory(test) -endif() + if(BUILD_TESTING) + add_subdirectory(test) + endif() -if(ENABLE_COVERAGE) - add_coverage(gint) -endif() + if(ENABLE_COVERAGE) + add_coverage(gint) + endif() endif() diff --git a/source/source_hamilt/module_gint/test/CMakeLists.txt b/source/source_hamilt/module_gint/test/CMakeLists.txt index 8a678e2941c..74da408a999 100644 --- a/source/source_hamilt/module_gint/test/CMakeLists.txt +++ b/source/source_hamilt/module_gint/test/CMakeLists.txt @@ -6,30 +6,25 @@ abacus_disable_feature_definitions(__ROCM) if(ENABLE_LCAO) -AddTest( - TARGET MODULE_LCAO_gint_common_test - LIBS parameter psi base device - SOURCES test_gint_common.cpp - tmp_mocks.cpp - ../gint_common.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp -) + addtest( + TARGET MODULE_LCAO_gint_common_test + LIBS parameter psi base device + SOURCES test_gint_common.cpp + tmp_mocks.cpp + ../gint_common.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp) -AddTest( - TARGET MODULE_LCAO_gint_precision_test - LIBS parameter base device - SOURCES test_gint_precision.cpp - tmp_mocks.cpp -) + addtest( + TARGET MODULE_LCAO_gint_precision_test + LIBS parameter base device + SOURCES test_gint_precision.cpp tmp_mocks.cpp) -AddTest( - TARGET MODULE_LCAO_gint_prec_ctrl_test - LIBS parameter base device - SOURCES test_gint_prec_ctrl.cpp - ../gint_prec_ctrl.cpp -) + addtest( + TARGET MODULE_LCAO_gint_prec_ctrl_test + LIBS parameter base device + SOURCES test_gint_prec_ctrl.cpp ../gint_prec_ctrl.cpp) endif() diff --git a/source/source_hamilt/module_hcontainer/CMakeLists.txt b/source/source_hamilt/module_hcontainer/CMakeLists.txt index 7082861c27b..ceae3321d4b 100644 --- a/source/source_hamilt/module_hcontainer/CMakeLists.txt +++ b/source/source_hamilt/module_hcontainer/CMakeLists.txt @@ -1,6 +1,8 @@ if(ENABLE_LCAO) -list(APPEND objects + list( + APPEND + objects base_matrix.cpp atom_pair.cpp hcontainer.cpp @@ -8,23 +10,18 @@ list(APPEND objects read_hcontainer.cpp func_folding.cpp transfer.cpp - func_transfer.cpp -) + func_transfer.cpp) -add_library( - hcontainer - OBJECT - ${objects} -) + add_library(hcontainer OBJECT ${objects}) -if(ENABLE_COVERAGE) - add_coverage(hcontainer) -endif() + if(ENABLE_COVERAGE) + add_coverage(hcontainer) + endif() -IF (BUILD_TESTING) - if(ENABLE_MPI) - add_subdirectory(test) + if(BUILD_TESTING) + if(ENABLE_MPI) + add_subdirectory(test) + endif() endif() -endif() -endif() \ No newline at end of file +endif() diff --git a/source/source_hamilt/module_hcontainer/test/CMakeLists.txt b/source/source_hamilt/module_hcontainer/test/CMakeLists.txt index 02b28fbf0cf..0576b70ada8 100644 --- a/source/source_hamilt/module_hcontainer/test/CMakeLists.txt +++ b/source/source_hamilt/module_hcontainer/test/CMakeLists.txt @@ -1,70 +1,80 @@ - if(ENABLE_LCAO) -AddTest( - TARGET MODULE_LCAO_hcontainer_test - LIBS parameter psi base device - SOURCES test_hcontainer.cpp ../base_matrix.cpp ../hcontainer.cpp ../atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp tmp_mocks.cpp -) - -AddTest( - TARGET MODULE_LCAO_hcontainer_complex_test - LIBS parameter psi base device - SOURCES test_hcontainer_complex.cpp ../base_matrix.cpp ../hcontainer.cpp ../atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp tmp_mocks.cpp -) + addtest( + TARGET MODULE_LCAO_hcontainer_test + LIBS parameter psi base device + SOURCES test_hcontainer.cpp ../base_matrix.cpp ../hcontainer.cpp + ../atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp tmp_mocks.cpp) -# This driver only measures time and memory; keep it with the opt-in benchmarks. -if(ENABLE_GOOGLEBENCH) - AddTest( - TARGET MODULE_LCAO_hcontainer_cost_test + addtest( + TARGET MODULE_LCAO_hcontainer_complex_test LIBS parameter psi base device - SOURCES test_hcontainer_time.cpp ../base_matrix.cpp ../hcontainer.cpp ../atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp tmp_mocks.cpp - ) -endif() + SOURCES test_hcontainer_complex.cpp ../base_matrix.cpp ../hcontainer.cpp + ../atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp tmp_mocks.cpp) -AddTest( - TARGET MODULE_LCAO_hcontainer_folding_test - LIBS parameter psi base device - SOURCES test_func_folding.cpp ../base_matrix.cpp ../hcontainer.cpp ../atom_pair.cpp - ../func_folding.cpp ../../../source_basis/module_ao/parallel_orbitals.cpp tmp_mocks.cpp -) + # This driver only measures time and memory; keep it with the opt-in benchmarks. + if(ENABLE_GOOGLEBENCH) + addtest( + TARGET MODULE_LCAO_hcontainer_cost_test + LIBS parameter psi base device + SOURCES test_hcontainer_time.cpp + ../base_matrix.cpp + ../hcontainer.cpp + ../atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + tmp_mocks.cpp) + endif() -AddTest( - TARGET MODULE_LCAO_hcontainer_transfer_test - LIBS parameter psi base device - SOURCES test_transfer.cpp ../func_transfer.cpp ../base_matrix.cpp ../hcontainer.cpp ../atom_pair.cpp - ../transfer.cpp ../../../source_basis/module_ao/parallel_orbitals.cpp tmp_mocks.cpp -) + addtest( + TARGET MODULE_LCAO_hcontainer_folding_test + LIBS parameter psi base device + SOURCES test_func_folding.cpp + ../base_matrix.cpp + ../hcontainer.cpp + ../atom_pair.cpp + ../func_folding.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + tmp_mocks.cpp) + + addtest( + TARGET MODULE_LCAO_hcontainer_transfer_test + LIBS parameter psi base device + SOURCES test_transfer.cpp + ../func_transfer.cpp + ../base_matrix.cpp + ../hcontainer.cpp + ../atom_pair.cpp + ../transfer.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + tmp_mocks.cpp) -abacus_copy_test_files(parallel_hcontainer_tests.sh) -find_program(BASH bash) -add_test(NAME MODULE_LCAO_hcontainer_para_test - COMMAND ${BASH} parallel_hcontainer_tests.sh - "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) + abacus_copy_test_files(parallel_hcontainer_tests.sh) + find_program(BASH bash) + add_test( + NAME MODULE_LCAO_hcontainer_para_test + COMMAND ${BASH} parallel_hcontainer_tests.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( - TARGET MODULE_LCAO_hcontainer_output_test - LIBS parameter base device - SOURCES test_hcontainer_output.cpp - tmp_mocks.cpp - ../output_hcontainer.cpp - ../base_matrix.cpp - ../hcontainer.cpp - ../atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp -) + addtest( + TARGET MODULE_LCAO_hcontainer_output_test + LIBS parameter base device + SOURCES test_hcontainer_output.cpp + tmp_mocks.cpp + ../output_hcontainer.cpp + ../base_matrix.cpp + ../hcontainer.cpp + ../atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp) -abacus_copy_test_files(support) + abacus_copy_test_files(support) -AddTest( - TARGET MODULE_LCAO_hcontainer_add_value_test - LIBS parameter ${math_libs} psi base device - SOURCES test_add_value.cpp ../base_matrix.cpp ../hcontainer.cpp ../atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp tmp_mocks.cpp -) + addtest( + TARGET MODULE_LCAO_hcontainer_add_value_test + LIBS parameter ${math_libs} psi base device + SOURCES test_add_value.cpp ../base_matrix.cpp ../hcontainer.cpp + ../atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp tmp_mocks.cpp) -endif() +endif() diff --git a/source/source_hamilt/module_sccs/CMakeLists.txt b/source/source_hamilt/module_sccs/CMakeLists.txt index d6f210a273a..2bf3cc51df7 100644 --- a/source/source_hamilt/module_sccs/CMakeLists.txt +++ b/source/source_hamilt/module_sccs/CMakeLists.txt @@ -1,4 +1,5 @@ -add_library(sccs OBJECT +add_library( + sccs OBJECT sccs_cavity.cpp sccs_cav_deriv.cpp sccs_parameters.cpp diff --git a/source/source_hamilt/module_sccs/test/CMakeLists.txt b/source/source_hamilt/module_sccs/test/CMakeLists.txt index deb7efe8302..1c55f593cd3 100644 --- a/source/source_hamilt/module_sccs/test/CMakeLists.txt +++ b/source/source_hamilt/module_sccs/test/CMakeLists.txt @@ -1,38 +1,57 @@ -AddTest(TARGET MODULE_HAMILT_sccs_cavity - SOURCES test_sccs_cavity.cpp ../sccs_cavity.cpp) -AddTest(TARGET MODULE_HAMILT_sccs_parameters +addtest(TARGET MODULE_HAMILT_sccs_cavity SOURCES test_sccs_cavity.cpp + ../sccs_cavity.cpp) +addtest( + TARGET MODULE_HAMILT_sccs_parameters LIBS base device SOURCES test_sccs_parameters.cpp ../sccs_parameters.cpp ../sccs_cavity.cpp) -AddTest(TARGET MODULE_HAMILT_sccs_poisson +addtest( + TARGET MODULE_HAMILT_sccs_poisson LIBS parameter planewave device base - SOURCES test_sccs_cav_deriv.cpp test_sccs_coul_0d.cpp test_sccs_coul_2d.cpp test_sccs_pw_coulomb.cpp test_sccs_ion_charge.cpp test_sccs_ion_force.cpp test_sccs_response.cpp test_sccs_functional.cpp - ../../../source_estate/test/test_pot_sccs.cpp - ../../../source_estate/test/test_sccs_pcc_0d.cpp - ../../../source_estate/test/test_sccs_pcc_2d.cpp - ../../../source_estate/module_pot/pot_sccs.cpp - ../../../source_estate/module_pot/sccs_pcc_0d.cpp - ../../../source_estate/module_pot/sccs_pcc_2d.cpp - ../../../source_estate/module_pot/pot_pcc.cpp - ../../../source_estate/pcc_2d.cpp - ../../../source_cell/cell_geometry.cpp ../../../source_cell/cell_tools.cpp ../../../source_cell/atom_spec.cpp - ../../../source_cell/atom_pseudo.cpp ../../../source_cell/pseudo.cpp - ../../../source_estate/charge_moments.cpp ../../../source_estate/pcc_0d.cpp - ../sccs_coul_0d.cpp - ../sccs_coul_2d.cpp - ../sccs_moments.cpp - ../sccs_cav_deriv.cpp - ../sccs_functional.cpp - ../sccs_parameters.cpp - ../sccs_ion_charge.cpp ../sccs_ion_force.cpp ../sccs_pw_coulomb.cpp ../sccs_response.cpp ../sccs_cavity.cpp - ../../module_xc/xc_grad_utils.cpp) -set_tests_properties(MODULE_HAMILT_sccs_poisson PROPERTIES - ENVIRONMENT "OMP_NUM_THREADS=1" TIMEOUT 60) + SOURCES test_sccs_cav_deriv.cpp + test_sccs_coul_0d.cpp + test_sccs_coul_2d.cpp + test_sccs_pw_coulomb.cpp + test_sccs_ion_charge.cpp + test_sccs_ion_force.cpp + test_sccs_response.cpp + test_sccs_functional.cpp + ../../../source_estate/test/test_pot_sccs.cpp + ../../../source_estate/test/test_sccs_pcc_0d.cpp + ../../../source_estate/test/test_sccs_pcc_2d.cpp + ../../../source_estate/module_pot/pot_sccs.cpp + ../../../source_estate/module_pot/sccs_pcc_0d.cpp + ../../../source_estate/module_pot/sccs_pcc_2d.cpp + ../../../source_estate/module_pot/pot_pcc.cpp + ../../../source_estate/pcc_2d.cpp + ../../../source_cell/cell_geometry.cpp + ../../../source_cell/cell_tools.cpp + ../../../source_cell/atom_spec.cpp + ../../../source_cell/atom_pseudo.cpp + ../../../source_cell/pseudo.cpp + ../../../source_estate/charge_moments.cpp + ../../../source_estate/pcc_0d.cpp + ../sccs_coul_0d.cpp + ../sccs_coul_2d.cpp + ../sccs_moments.cpp + ../sccs_cav_deriv.cpp + ../sccs_functional.cpp + ../sccs_parameters.cpp + ../sccs_ion_charge.cpp + ../sccs_ion_force.cpp + ../sccs_pw_coulomb.cpp + ../sccs_response.cpp + ../sccs_cavity.cpp + ../../module_xc/xc_grad_utils.cpp) +set_tests_properties(MODULE_HAMILT_sccs_poisson + PROPERTIES ENVIRONMENT "OMP_NUM_THREADS=1" TIMEOUT 60) if(ENABLE_MPI) - add_test(NAME MODULE_HAMILT_sccs_poisson_mpi + add_test( + NAME MODULE_HAMILT_sccs_poisson_mpi COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 2 ${MPIEXEC_PREFLAGS} - $ ${MPIEXEC_POSTFLAGS}) - set_tests_properties(MODULE_HAMILT_sccs_poisson_mpi PROPERTIES - ENVIRONMENT "OMP_NUM_THREADS=1" TIMEOUT 60 PROCESSORS 2) + $ ${MPIEXEC_POSTFLAGS}) + set_tests_properties( + MODULE_HAMILT_sccs_poisson_mpi PROPERTIES ENVIRONMENT "OMP_NUM_THREADS=1" + TIMEOUT 60 PROCESSORS 2) endif() diff --git a/source/source_hamilt/module_surchem/CMakeLists.txt b/source/source_hamilt/module_surchem/CMakeLists.txt index 23881ea7074..77d26656961 100644 --- a/source/source_hamilt/module_surchem/CMakeLists.txt +++ b/source/source_hamilt/module_surchem/CMakeLists.txt @@ -1,22 +1,20 @@ add_library( - surchem - OBJECT - surchem.cpp - h_corr_pw.cpp - cal_epsilon.cpp - cal_pseudo.cpp - cal_totn.cpp - cal_vcav.cpp - cal_vel.cpp - minimize_cg.cpp - sol_force.cpp -) + surchem OBJECT + surchem.cpp + h_corr_pw.cpp + cal_epsilon.cpp + cal_pseudo.cpp + cal_totn.cpp + cal_vcav.cpp + cal_vel.cpp + minimize_cg.cpp + sol_force.cpp) if(ENABLE_COVERAGE) add_coverage(surchem) endif() -IF (BUILD_TESTING) +if(BUILD_TESTING) if(ENABLE_MPI) add_subdirectory(test) endif() diff --git a/source/source_hamilt/module_surchem/test/CMakeLists.txt b/source/source_hamilt/module_surchem/test/CMakeLists.txt index ddd30ce6d42..0e4850365fa 100644 --- a/source/source_hamilt/module_surchem/test/CMakeLists.txt +++ b/source/source_hamilt/module_surchem/test/CMakeLists.txt @@ -2,56 +2,78 @@ abacus_disable_feature_definitions(__LCAO) abacus_disable_feature_definitions(__LIBXC) abacus_copy_test_files(support) -list(APPEND depend_files +list(APPEND depend_files) -) - -AddTest( +addtest( TARGET MODULE_HAMILT_surchem_cal_epsilon LIBS parameter planewave device base - SOURCES cal_epsilon_test.cpp ../cal_epsilon.cpp ../surchem.cpp -) + SOURCES cal_epsilon_test.cpp ../cal_epsilon.cpp ../surchem.cpp) -AddTest( - TARGET MODULE_HAMILT_surchem_cal_pseudo +addtest( + TARGET MODULE_HAMILT_surchem_cal_pseudo LIBS parameter planewave device base psi - SOURCES cal_pseudo_test.cpp ../cal_pseudo.cpp ../surchem.cpp ../cal_epsilon.cpp ../../../source_pw/module_pwdft/stru_fac.cpp -) + SOURCES cal_pseudo_test.cpp ../cal_pseudo.cpp ../surchem.cpp + ../cal_epsilon.cpp ../../../source_pw/module_pwdft/stru_fac.cpp) -AddTest( +addtest( TARGET MODULE_HAMILT_surchem_cal_totn LIBS parameter planewave device base - SOURCES cal_totn_test.cpp ../cal_totn.cpp ../surchem.cpp -) + SOURCES cal_totn_test.cpp ../cal_totn.cpp ../surchem.cpp) -AddTest( +addtest( TARGET MODULE_HAMILT_surchem_cal_vcav LIBS parameter planewave device base container - SOURCES cal_vcav_test.cpp ../cal_vcav.cpp ../surchem.cpp - ../../module_xc/xc_grad.cpp ../../module_xc/xc_grad_prepare.cpp ../../module_xc/xc_grad_kernel.cpp ../../module_xc/xc_grad_assemble.cpp ../../module_xc/xc_grad_wfc.cpp ../../module_xc/xc_grad_utils.cpp ../../module_xc/xc_functional.cpp - ../../module_xc/xc_functional_ncgga_sf.cpp ../../module_xc/xc_ncgga_radial.cpp - ../../module_xc/xc_lda_wrap.cpp ../../module_xc/xc_gga_wrap.cpp - ../../module_xc/libxc_setup.cpp - ../../module_xc/libxc_pot.cpp - ../../module_xc/libxc_lda_wrap.cpp - ../../module_xc/libxc_gga_wrap.cpp - ../../module_xc/libxc_mgga_wrap.cpp - ../../module_xc/xc_gga_corr.cpp ../../module_xc/xc_lda_corr.cpp ../../module_xc/xc_gga_exch.cpp - ../../module_xc/xc_lda_exch.cpp ../../module_xc/xc_hcth.cpp -) + SOURCES cal_vcav_test.cpp + ../cal_vcav.cpp + ../surchem.cpp + ../../module_xc/xc_grad.cpp + ../../module_xc/xc_grad_prepare.cpp + ../../module_xc/xc_grad_kernel.cpp + ../../module_xc/xc_grad_assemble.cpp + ../../module_xc/xc_grad_wfc.cpp + ../../module_xc/xc_grad_utils.cpp + ../../module_xc/xc_functional.cpp + ../../module_xc/xc_functional_ncgga_sf.cpp + ../../module_xc/xc_ncgga_radial.cpp + ../../module_xc/xc_lda_wrap.cpp + ../../module_xc/xc_gga_wrap.cpp + ../../module_xc/libxc_setup.cpp + ../../module_xc/libxc_pot.cpp + ../../module_xc/libxc_lda_wrap.cpp + ../../module_xc/libxc_gga_wrap.cpp + ../../module_xc/libxc_mgga_wrap.cpp + ../../module_xc/xc_gga_corr.cpp + ../../module_xc/xc_lda_corr.cpp + ../../module_xc/xc_gga_exch.cpp + ../../module_xc/xc_lda_exch.cpp + ../../module_xc/xc_hcth.cpp) -AddTest( +addtest( TARGET MODULE_HAMILT_surchem_cal_vel LIBS parameter planewave device base container - SOURCES cal_vel_test.cpp ../cal_vel.cpp ../surchem.cpp ../cal_epsilon.cpp ../minimize_cg.cpp - ../../module_xc/xc_grad.cpp ../../module_xc/xc_grad_prepare.cpp ../../module_xc/xc_grad_kernel.cpp ../../module_xc/xc_grad_assemble.cpp ../../module_xc/xc_grad_wfc.cpp ../../module_xc/xc_grad_utils.cpp ../../module_xc/xc_functional.cpp - ../../module_xc/xc_functional_ncgga_sf.cpp ../../module_xc/xc_ncgga_radial.cpp - ../../module_xc/xc_lda_wrap.cpp ../../module_xc/xc_gga_wrap.cpp - ../../module_xc/libxc_setup.cpp - ../../module_xc/libxc_pot.cpp - ../../module_xc/libxc_lda_wrap.cpp - ../../module_xc/libxc_gga_wrap.cpp - ../../module_xc/libxc_mgga_wrap.cpp - ../../module_xc/xc_gga_corr.cpp ../../module_xc/xc_lda_corr.cpp ../../module_xc/xc_gga_exch.cpp - ../../module_xc/xc_lda_exch.cpp ../../module_xc/xc_hcth.cpp -) + SOURCES cal_vel_test.cpp + ../cal_vel.cpp + ../surchem.cpp + ../cal_epsilon.cpp + ../minimize_cg.cpp + ../../module_xc/xc_grad.cpp + ../../module_xc/xc_grad_prepare.cpp + ../../module_xc/xc_grad_kernel.cpp + ../../module_xc/xc_grad_assemble.cpp + ../../module_xc/xc_grad_wfc.cpp + ../../module_xc/xc_grad_utils.cpp + ../../module_xc/xc_functional.cpp + ../../module_xc/xc_functional_ncgga_sf.cpp + ../../module_xc/xc_ncgga_radial.cpp + ../../module_xc/xc_lda_wrap.cpp + ../../module_xc/xc_gga_wrap.cpp + ../../module_xc/libxc_setup.cpp + ../../module_xc/libxc_pot.cpp + ../../module_xc/libxc_lda_wrap.cpp + ../../module_xc/libxc_gga_wrap.cpp + ../../module_xc/libxc_mgga_wrap.cpp + ../../module_xc/xc_gga_corr.cpp + ../../module_xc/xc_lda_corr.cpp + ../../module_xc/xc_gga_exch.cpp + ../../module_xc/xc_lda_exch.cpp + ../../module_xc/xc_hcth.cpp) diff --git a/source/source_hamilt/module_vdw/CMakeLists.txt b/source/source_hamilt/module_vdw/CMakeLists.txt index e51299da04d..e9833432be9 100644 --- a/source/source_hamilt/module_vdw/CMakeLists.txt +++ b/source/source_hamilt/module_vdw/CMakeLists.txt @@ -6,8 +6,7 @@ set(vdw_sources vdwd3_parameters.cpp vdwd3_evaluator.cpp vdwd3.cpp - vdw.cpp -) + vdw.cpp) if(ENABLE_DFTD4) list(APPEND vdw_sources vdwd4.cpp) diff --git a/source/source_hamilt/module_vdw/test/CMakeLists.txt b/source/source_hamilt/module_vdw/test/CMakeLists.txt index fddd34b6816..94d6c82c6b8 100644 --- a/source/source_hamilt/module_vdw/test/CMakeLists.txt +++ b/source/source_hamilt/module_vdw/test/CMakeLists.txt @@ -2,23 +2,19 @@ abacus_disable_feature_definitions(__MLALGO) abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) -abacus_copy_test_files( - c6.txt - r0.txt - r0_zero.txt) +abacus_copy_test_files(c6.txt r0.txt r0_zero.txt) -AddTest( +addtest( TARGET MODULE_HAMILT_vdwTest LIBS parameter base device vdw - SOURCES vdw_test.cpp vdwd3_evaluator_test.cpp -) + SOURCES vdw_test.cpp vdwd3_evaluator_test.cpp) if(ENABLE_DFTD4 AND ENABLE_MPI) add_test( NAME MODULE_HAMILT_vdwd4Test_2np - COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 2 - ${MPIEXEC_PREFLAGS} $ - --gtest_filter=vdwd4Test.* ${MPIEXEC_POSTFLAGS} - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - ) + COMMAND + ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 2 ${MPIEXEC_PREFLAGS} + $ --gtest_filter=vdwd4Test.* + ${MPIEXEC_POSTFLAGS} + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) endif() diff --git a/source/source_hamilt/module_xc/CMakeLists.txt b/source/source_hamilt/module_xc/CMakeLists.txt index 495c5ae1997..2e852f0458a 100644 --- a/source/source_hamilt/module_xc/CMakeLists.txt +++ b/source/source_hamilt/module_xc/CMakeLists.txt @@ -1,41 +1,39 @@ add_library( - xc_ - OBJECT - xc_functional.cpp - xc_functional_ncgga_sf.cpp - xc_ncgga_radial.cpp - xc_pot.cpp - xc_grad.cpp - xc_grad_prepare.cpp - xc_grad_kernel.cpp - xc_grad_assemble.cpp - xc_grad_wfc.cpp - xc_grad_utils.cpp - xc_lda_wrap.cpp - xc_gga_wrap.cpp - xc_lda_exch.cpp - xc_lda_corr.cpp - xc_gga_exch.cpp - xc_gga_corr.cpp - xc_hcth.cpp - libxc_setup.cpp - libxc_tools.cpp - libxc_pot.cpp - libxc_lda_wrap.cpp - libxc_gga_wrap.cpp - libxc_mgga_wrap.cpp - exx_info.cpp -) + xc_ OBJECT + xc_functional.cpp + xc_functional_ncgga_sf.cpp + xc_ncgga_radial.cpp + xc_pot.cpp + xc_grad.cpp + xc_grad_prepare.cpp + xc_grad_kernel.cpp + xc_grad_assemble.cpp + xc_grad_wfc.cpp + xc_grad_utils.cpp + xc_lda_wrap.cpp + xc_gga_wrap.cpp + xc_lda_exch.cpp + xc_lda_corr.cpp + xc_gga_exch.cpp + xc_gga_corr.cpp + xc_hcth.cpp + libxc_setup.cpp + libxc_tools.cpp + libxc_pot.cpp + libxc_lda_wrap.cpp + libxc_gga_wrap.cpp + libxc_mgga_wrap.cpp + exx_info.cpp) if(ENABLE_COVERAGE) add_coverage(xc_) endif() if(BUILD_TESTING) -if(ENABLE_MPI) -if(ENABLE_LIBXC) - add_subdirectory(test) - add_subdirectory(kernels/test) -endif() -endif() + if(ENABLE_MPI) + if(ENABLE_LIBXC) + add_subdirectory(test) + add_subdirectory(kernels/test) + endif() + endif() endif() diff --git a/source/source_hamilt/module_xc/kernels/test/CMakeLists.txt b/source/source_hamilt/module_xc/kernels/test/CMakeLists.txt index e5c0ac70e9b..33511a6e96a 100644 --- a/source/source_hamilt/module_xc/kernels/test/CMakeLists.txt +++ b/source/source_hamilt/module_xc/kernels/test/CMakeLists.txt @@ -1,5 +1,4 @@ -AddTest( - TARGET MODULE_HAMILT_XC_Functional_UTs - LIBS parameter device base container - SOURCES xc_functional_op_test.cpp -) +addtest( + TARGET MODULE_HAMILT_XC_Functional_UTs + LIBS parameter device base container + SOURCES xc_functional_op_test.cpp) diff --git a/source/source_hamilt/module_xc/test/CMakeLists.txt b/source/source_hamilt/module_xc/test/CMakeLists.txt index 82e8188923c..e7d101f6cfd 100644 --- a/source/source_hamilt/module_xc/test/CMakeLists.txt +++ b/source/source_hamilt/module_xc/test/CMakeLists.txt @@ -1,166 +1,226 @@ -AddTest( +addtest( TARGET MODULE_HAMILT_XCTest_PBE LIBS parameter MPI::MPI_CXX Libxc::xc - SOURCES test_xc.cpp ../xc_functional.cpp ../xc_lda_wrap.cpp ../xc_gga_wrap.cpp ../xc_gga_corr.cpp ../xc_lda_corr.cpp ../xc_gga_exch.cpp ../xc_lda_exch.cpp ../xc_hcth.cpp - ../libxc_gga_wrap.cpp ../libxc_setup.cpp -) + SOURCES test_xc.cpp + ../xc_functional.cpp + ../xc_lda_wrap.cpp + ../xc_gga_wrap.cpp + ../xc_gga_corr.cpp + ../xc_lda_corr.cpp + ../xc_gga_exch.cpp + ../xc_lda_exch.cpp + ../xc_hcth.cpp + ../libxc_gga_wrap.cpp + ../libxc_setup.cpp) -AddTest( +addtest( TARGET MODULE_HAMILT_XCTest_HSE LIBS parameter MPI::MPI_CXX Libxc::xc - SOURCES test_xc1.cpp ../xc_functional.cpp ../libxc_setup.cpp -) + SOURCES test_xc1.cpp ../xc_functional.cpp ../libxc_setup.cpp) - -AddTest( +addtest( TARGET MODULE_HAMILT_XCTest_PZ_SPN LIBS parameter MPI::MPI_CXX Libxc::xc - SOURCES test_xc2.cpp ../xc_functional.cpp ../xc_lda_wrap.cpp ../xc_gga_wrap.cpp ../xc_gga_corr.cpp ../xc_lda_corr.cpp ../xc_gga_exch.cpp ../xc_lda_exch.cpp ../xc_hcth.cpp - ../libxc_gga_wrap.cpp ../libxc_lda_wrap.cpp ../libxc_setup.cpp -) + SOURCES test_xc2.cpp + ../xc_functional.cpp + ../xc_lda_wrap.cpp + ../xc_gga_wrap.cpp + ../xc_gga_corr.cpp + ../xc_lda_corr.cpp + ../xc_gga_exch.cpp + ../xc_lda_exch.cpp + ../xc_hcth.cpp + ../libxc_gga_wrap.cpp + ../libxc_lda_wrap.cpp + ../libxc_setup.cpp) -if (USE_CUDA) -list(APPEND FFT_SRC ../../../source_base/module_fft/fft_cuda.cpp) +if(USE_CUDA) + list(APPEND FFT_SRC ../../../source_base/module_fft/fft_cuda.cpp) endif() -if (USE_ROCM) -list(APPEND FFT_SRC ../../../source_base/module_fft/fft_rocm.cpp) +if(USE_ROCM) + list(APPEND FFT_SRC ../../../source_base/module_fft/fft_rocm.cpp) endif() -AddTest( +addtest( TARGET MODULE_HAMILT_XCTest_GRADCORR LIBS parameter MPI::MPI_CXX Libxc::xc psi device container - SOURCES test_xc3.cpp ../xc_grad.cpp ../xc_grad_prepare.cpp ../xc_grad_kernel.cpp ../xc_grad_assemble.cpp ../xc_grad_wfc.cpp ../xc_grad_utils.cpp ../xc_functional.cpp - ../xc_lda_wrap.cpp ../xc_gga_wrap.cpp - ../libxc_setup.cpp - ../libxc_lda_wrap.cpp - ../libxc_gga_wrap.cpp - ../libxc_mgga_wrap.cpp - ../xc_gga_corr.cpp ../xc_lda_corr.cpp ../xc_gga_exch.cpp - ../xc_lda_exch.cpp ../xc_hcth.cpp - ../../../source_base/matrix.cpp - ../../../source_base/memory_recorder.cpp - ../../../source_base/global_variable.cpp - ../../../source_base/libm/branred.cpp - ../../../source_base/libm/sincos.cpp - ../../../source_base/module_external/blas_connector_base.cpp ../../../source_base/module_external/blas_connector_vector.cpp ../../../source_base/module_external/blas_connector_matrix.cpp - ../../../source_base/module_fft/fft_bundle.cpp - ../../../source_base/module_fft/fft_cpu.cpp - ${FFT_SRC} -) + SOURCES test_xc3.cpp + ../xc_grad.cpp + ../xc_grad_prepare.cpp + ../xc_grad_kernel.cpp + ../xc_grad_assemble.cpp + ../xc_grad_wfc.cpp + ../xc_grad_utils.cpp + ../xc_functional.cpp + ../xc_lda_wrap.cpp + ../xc_gga_wrap.cpp + ../libxc_setup.cpp + ../libxc_lda_wrap.cpp + ../libxc_gga_wrap.cpp + ../libxc_mgga_wrap.cpp + ../xc_gga_corr.cpp + ../xc_lda_corr.cpp + ../xc_gga_exch.cpp + ../xc_lda_exch.cpp + ../xc_hcth.cpp + ../../../source_base/matrix.cpp + ../../../source_base/memory_recorder.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp + ../../../source_base/module_external/blas_connector_base.cpp + ../../../source_base/module_external/blas_connector_vector.cpp + ../../../source_base/module_external/blas_connector_matrix.cpp + ../../../source_base/module_fft/fft_bundle.cpp + ../../../source_base/module_fft/fft_cpu.cpp + ${FFT_SRC}) -AddTest( +addtest( TARGET MODULE_HAMILT_XCTest_SCAN LIBS parameter MPI::MPI_CXX Libxc::xc - SOURCES test_xc4.cpp ../xc_functional.cpp ../xc_lda_wrap.cpp - ../xc_gga_wrap.cpp - ../libxc_setup.cpp - ../libxc_lda_wrap.cpp - ../libxc_gga_wrap.cpp - ../libxc_mgga_wrap.cpp - ../xc_gga_corr.cpp ../xc_lda_corr.cpp - ../xc_gga_exch.cpp ../xc_lda_exch.cpp ../xc_hcth.cpp -) + SOURCES test_xc4.cpp + ../xc_functional.cpp + ../xc_lda_wrap.cpp + ../xc_gga_wrap.cpp + ../libxc_setup.cpp + ../libxc_lda_wrap.cpp + ../libxc_gga_wrap.cpp + ../libxc_mgga_wrap.cpp + ../xc_gga_corr.cpp + ../xc_lda_corr.cpp + ../xc_gga_exch.cpp + ../xc_lda_exch.cpp + ../xc_hcth.cpp) -AddTest( +addtest( TARGET MODULE_HAMILT_XCTest_VXC LIBS parameter MPI::MPI_CXX Libxc::xc psi device container - SOURCES test_xc5.cpp test_libxc_tools.cpp ../xc_grad.cpp ../xc_grad_prepare.cpp ../xc_grad_kernel.cpp ../xc_grad_assemble.cpp ../xc_grad_wfc.cpp ../xc_grad_utils.cpp ../xc_functional.cpp - ../xc_lda_wrap.cpp ../xc_gga_wrap.cpp - ../libxc_setup.cpp - ../libxc_lda_wrap.cpp - ../libxc_gga_wrap.cpp - ../libxc_mgga_wrap.cpp - ../xc_gga_corr.cpp ../xc_lda_corr.cpp ../xc_gga_exch.cpp - ../xc_lda_exch.cpp ../xc_hcth.cpp - ../xc_pot.cpp - ../xc_functional_ncgga_sf.cpp - ../xc_ncgga_radial.cpp - ../libxc_pot.cpp - ../libxc_tools.cpp - ../../../source_base/module_external/blas_connector_base.cpp ../../../source_base/module_external/blas_connector_vector.cpp ../../../source_base/module_external/blas_connector_matrix.cpp - ../../../source_base/matrix.cpp - ../../../source_base/memory_recorder.cpp - ../../../source_base/global_variable.cpp - ../../../source_base/timer.cpp - ../../../source_base/libm/branred.cpp - ../../../source_base/libm/sincos.cpp - ../../../source_base/module_fft/fft_bundle.cpp - ../../../source_base/module_fft/fft_cpu.cpp - ${FFT_SRC} -) + SOURCES test_xc5.cpp + test_libxc_tools.cpp + ../xc_grad.cpp + ../xc_grad_prepare.cpp + ../xc_grad_kernel.cpp + ../xc_grad_assemble.cpp + ../xc_grad_wfc.cpp + ../xc_grad_utils.cpp + ../xc_functional.cpp + ../xc_lda_wrap.cpp + ../xc_gga_wrap.cpp + ../libxc_setup.cpp + ../libxc_lda_wrap.cpp + ../libxc_gga_wrap.cpp + ../libxc_mgga_wrap.cpp + ../xc_gga_corr.cpp + ../xc_lda_corr.cpp + ../xc_gga_exch.cpp + ../xc_lda_exch.cpp + ../xc_hcth.cpp + ../xc_pot.cpp + ../xc_functional_ncgga_sf.cpp + ../xc_ncgga_radial.cpp + ../libxc_pot.cpp + ../libxc_tools.cpp + ../../../source_base/module_external/blas_connector_base.cpp + ../../../source_base/module_external/blas_connector_vector.cpp + ../../../source_base/module_external/blas_connector_matrix.cpp + ../../../source_base/matrix.cpp + ../../../source_base/memory_recorder.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/timer.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp + ../../../source_base/module_fft/fft_bundle.cpp + ../../../source_base/module_fft/fft_cpu.cpp + ${FFT_SRC}) -AddTest( - TARGET MODULE_HAMILT_XCTest_NCGGA_RADIAL - SOURCES test_xc_ncgga_radial.cpp ../xc_ncgga_radial.cpp -) +addtest(TARGET MODULE_HAMILT_XCTest_NCGGA_RADIAL + SOURCES test_xc_ncgga_radial.cpp ../xc_ncgga_radial.cpp) -AddTest( +addtest( TARGET MODULE_HAMILT_XCTest_NCGGA_DISCRETE_FD - LIBS xc_ planewave parameter MPI::MPI_CXX Libxc::xc psi device container base - SOURCES test_xc_functional_ncgga_sf.cpp -) -set_tests_properties( - MODULE_HAMILT_XCTest_NCGGA_DISCRETE_FD - PROPERTIES ENVIRONMENT "OMP_NUM_THREADS=1" -) + LIBS xc_ + planewave + parameter + MPI::MPI_CXX + Libxc::xc + psi + device + container + base + SOURCES test_xc_functional_ncgga_sf.cpp) +set_tests_properties(MODULE_HAMILT_XCTest_NCGGA_DISCRETE_FD + PROPERTIES ENVIRONMENT "OMP_NUM_THREADS=1") add_test( NAME MODULE_HAMILT_XCTest_NCGGA_DISCRETE_FD_MPI2 - COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 2 - ${MPIEXEC_PREFLAGS} - $ - ${MPIEXEC_POSTFLAGS} -) + COMMAND + ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 2 ${MPIEXEC_PREFLAGS} + $ ${MPIEXEC_POSTFLAGS}) set_tests_properties( MODULE_HAMILT_XCTest_NCGGA_DISCRETE_FD_MPI2 - PROPERTIES - ENVIRONMENT "OMP_NUM_THREADS=1" - PROCESSORS 2 - WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}" -) + PROPERTIES ENVIRONMENT "OMP_NUM_THREADS=1" PROCESSORS 2 WORKING_DIRECTORY + "${CMAKE_CURRENT_BINARY_DIR}") -AddTest( +addtest( TARGET MODULE_HAMILT_XCTest_SCANL_LAPL LIBS parameter MPI::MPI_CXX Libxc::xc - SOURCES test_xc6.cpp ../xc_functional.cpp ../xc_lda_wrap.cpp - ../xc_gga_wrap.cpp - ../libxc_setup.cpp - ../libxc_lda_wrap.cpp - ../libxc_gga_wrap.cpp - ../libxc_mgga_wrap.cpp - ../xc_gga_corr.cpp ../xc_lda_corr.cpp - ../xc_gga_exch.cpp ../xc_lda_exch.cpp ../xc_hcth.cpp -) + SOURCES test_xc6.cpp + ../xc_functional.cpp + ../xc_lda_wrap.cpp + ../xc_gga_wrap.cpp + ../libxc_setup.cpp + ../libxc_lda_wrap.cpp + ../libxc_gga_wrap.cpp + ../libxc_mgga_wrap.cpp + ../xc_gga_corr.cpp + ../xc_lda_corr.cpp + ../xc_gga_exch.cpp + ../xc_lda_exch.cpp + ../xc_hcth.cpp) -if (USE_CUDA) -list(APPEND FFT_SRC ../../../source_base/module_fft/fft_cuda.cpp) +if(USE_CUDA) + list(APPEND FFT_SRC ../../../source_base/module_fft/fft_cuda.cpp) endif() -if (USE_ROCM) -list(APPEND FFT_SRC ../../../source_base/module_fft/fft_rocm.cpp) +if(USE_ROCM) + list(APPEND FFT_SRC ../../../source_base/module_fft/fft_rocm.cpp) endif() -AddTest( +addtest( TARGET MODULE_HAMILT_XCTest_LAPL LIBS parameter MPI::MPI_CXX Libxc::xc psi device container - SOURCES test_xc7.cpp ../xc_grad.cpp ../xc_grad_prepare.cpp ../xc_grad_kernel.cpp ../xc_grad_assemble.cpp ../xc_grad_wfc.cpp ../xc_grad_utils.cpp ../xc_functional.cpp - ../xc_lda_wrap.cpp ../xc_gga_wrap.cpp - ../libxc_setup.cpp - ../libxc_lda_wrap.cpp - ../libxc_gga_wrap.cpp - ../libxc_mgga_wrap.cpp - ../xc_gga_corr.cpp ../xc_lda_corr.cpp ../xc_gga_exch.cpp - ../xc_lda_exch.cpp ../xc_hcth.cpp - ../../../source_base/matrix.cpp - ../../../source_base/memory_recorder.cpp - ../../../source_base/global_variable.cpp - ../../../source_base/libm/branred.cpp - ../../../source_base/libm/sincos.cpp - ../../../source_base/module_external/blas_connector_base.cpp ../../../source_base/module_external/blas_connector_vector.cpp ../../../source_base/module_external/blas_connector_matrix.cpp - ../../../source_base/module_fft/fft_bundle.cpp - ../../../source_base/module_fft/fft_cpu.cpp - ${FFT_SRC} -) + SOURCES test_xc7.cpp + ../xc_grad.cpp + ../xc_grad_prepare.cpp + ../xc_grad_kernel.cpp + ../xc_grad_assemble.cpp + ../xc_grad_wfc.cpp + ../xc_grad_utils.cpp + ../xc_functional.cpp + ../xc_lda_wrap.cpp + ../xc_gga_wrap.cpp + ../libxc_setup.cpp + ../libxc_lda_wrap.cpp + ../libxc_gga_wrap.cpp + ../libxc_mgga_wrap.cpp + ../xc_gga_corr.cpp + ../xc_lda_corr.cpp + ../xc_gga_exch.cpp + ../xc_lda_exch.cpp + ../xc_hcth.cpp + ../../../source_base/matrix.cpp + ../../../source_base/memory_recorder.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp + ../../../source_base/module_external/blas_connector_base.cpp + ../../../source_base/module_external/blas_connector_vector.cpp + ../../../source_base/module_external/blas_connector_matrix.cpp + ../../../source_base/module_fft/fft_bundle.cpp + ../../../source_base/module_fft/fft_cpu.cpp + ${FFT_SRC}) # gradcorr dispatches the noncollinear stress path even in focused FFT tests. -foreach(xc_gradient_test MODULE_HAMILT_XCTest_GRADCORR MODULE_HAMILT_XCTest_LAPL) - target_sources(${xc_gradient_test} PRIVATE - ../xc_functional_ncgga_sf.cpp ../xc_ncgga_radial.cpp - ../libxc_pot.cpp ../libxc_tools.cpp ../../../source_base/timer.cpp) +foreach(xc_gradient_test MODULE_HAMILT_XCTest_GRADCORR + MODULE_HAMILT_XCTest_LAPL) + target_sources( + ${xc_gradient_test} + PRIVATE ../xc_functional_ncgga_sf.cpp ../xc_ncgga_radial.cpp + ../libxc_pot.cpp ../libxc_tools.cpp ../../../source_base/timer.cpp) endforeach() diff --git a/source/source_hamilt/test/CMakeLists.txt b/source/source_hamilt/test/CMakeLists.txt index 839bef347a3..7031861b6f3 100644 --- a/source/source_hamilt/test/CMakeLists.txt +++ b/source/source_hamilt/test/CMakeLists.txt @@ -1,10 +1,8 @@ -AddTest( - TARGET MODULE_HAMILT_ewald_dnrm2 - SOURCES dnrm2_test.cpp ../module_ewald/dnrm2.cpp -) +addtest(TARGET MODULE_HAMILT_ewald_dnrm2 SOURCES dnrm2_test.cpp + ../module_ewald/dnrm2.cpp) -AddTest( +addtest( TARGET MODULE_HAMILT_ewald_rgen LIBS parameter base device - SOURCES rgen_test.cpp ../module_ewald/h_ewald_pw.cpp ../module_ewald/dnrm2.cpp -) + SOURCES rgen_test.cpp ../module_ewald/h_ewald_pw.cpp + ../module_ewald/dnrm2.cpp) diff --git a/source/source_hsolver/CMakeLists.txt b/source/source_hsolver/CMakeLists.txt index e7adc3fb5ad..00efc57cc72 100644 --- a/source/source_hsolver/CMakeLists.txt +++ b/source/source_hsolver/CMakeLists.txt @@ -1,89 +1,63 @@ -list(APPEND objects - diag_const_nums.cpp - diago_cg.cpp - diago_david.cpp - diago_dav_subspace.cpp - diago_bpcg.cpp - para_lin_tf.cpp - hsolver_pw.cpp - hsolver_pw_tddft.cpp - hsolver_lcaopw.cpp - diago_iter_assist.cpp - hsolver.cpp - diago_pxxxgvx.cpp - diag_hs_para.cpp - diago_params.cpp - linear_bicgstab.cpp - linear_cgs.cpp - linear_gmres.cpp - linear_algebra.cpp - orthonormal.cpp - orthonormal_small.cpp - cn_subspace.cpp - linear_low_rank.cpp - linear_workspace.cpp - hsolver_linear.cpp -) +list( + APPEND + objects + diag_const_nums.cpp + diago_cg.cpp + diago_david.cpp + diago_dav_subspace.cpp + diago_bpcg.cpp + para_lin_tf.cpp + hsolver_pw.cpp + hsolver_pw_tddft.cpp + hsolver_lcaopw.cpp + diago_iter_assist.cpp + hsolver.cpp + diago_pxxxgvx.cpp + diag_hs_para.cpp + diago_params.cpp + linear_bicgstab.cpp + linear_cgs.cpp + linear_gmres.cpp + linear_algebra.cpp + orthonormal.cpp + orthonormal_small.cpp + cn_subspace.cpp + linear_low_rank.cpp + linear_workspace.cpp + hsolver_linear.cpp) if(ENABLE_LCAO) - if (ENABLE_MPI) - list(APPEND objects - hsolver_lcao.cpp - diago_scalapack.cpp - parallel_k2d.cpp - diago_lapack.cpp - ) - else () - list(APPEND objects - hsolver_lcao.cpp - diago_lapack.cpp - ) - endif () - if (ENABLE_ELPA) - list(APPEND objects - diago_elpa.cpp - diago_elpa_native.cpp - ) - endif () + if(ENABLE_MPI) + list(APPEND objects hsolver_lcao.cpp diago_scalapack.cpp parallel_k2d.cpp + diago_lapack.cpp) + else() + list(APPEND objects hsolver_lcao.cpp diago_lapack.cpp) + endif() + if(ENABLE_ELPA) + list(APPEND objects diago_elpa.cpp diago_elpa_native.cpp) + endif() if(USE_CUDA) - set(cuda_objects - ./kernels/hegvd_op.cpp - ./kernels/cuda/diag_cusolver.cu - diago_cusolver.cpp - diago_cusolver.h - ) - if(ENABLE_CUSOLVERMP) - list(APPEND cuda_objects - ./kernels/cuda/diag_cusolvermp.cu - diago_cusolvermp.cpp - diago_cusolvermp.h - ) - endif() - add_library( - diag_cusolver - OBJECT - ${cuda_objects} - ) + set(cuda_objects ./kernels/hegvd_op.cpp ./kernels/cuda/diag_cusolver.cu + diago_cusolver.cpp diago_cusolver.h) + if(ENABLE_CUSOLVERMP) + list(APPEND cuda_objects ./kernels/cuda/diag_cusolvermp.cu + diago_cusolvermp.cpp diago_cusolvermp.h) + endif() + add_library(diag_cusolver OBJECT ${cuda_objects}) if(ENABLE_COVERAGE) add_coverage(diag_cusolver) endif() endif() if(ENABLE_PEXSI) - list(APPEND objects - diago_pexsi.cpp - ) + list(APPEND objects diago_pexsi.cpp) add_subdirectory(module_pexsi) endif() endif() -add_library( - hsolver - OBJECT - ${objects} -) +add_library(hsolver OBJECT ${objects}) if(ENABLE_COVERAGE) add_coverage(hsolver) diff --git a/source/source_hsolver/kernels/test/CMakeLists.txt b/source/source_hsolver/kernels/test/CMakeLists.txt index 1b78f0af206..3c897cdba3b 100644 --- a/source/source_hsolver/kernels/test/CMakeLists.txt +++ b/source/source_hsolver/kernels/test/CMakeLists.txt @@ -2,17 +2,15 @@ abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) if(USE_CUDA OR USE_ROCM) - AddTest( - TARGET MODULE_HSOLVER_KERNELS_Unittests - LIBS parameter base device - SOURCES math_hegvd_test.cpp - ) + addtest( + TARGET MODULE_HSOLVER_KERNELS_Unittests + LIBS parameter base device + SOURCES math_hegvd_test.cpp) endif() if(ENABLE_GOOGLEBENCH) - AddTest( - TARGET PERF_MODULE_HSOLVER_KERNELS - LIBS parameter base device - SOURCES perf_math_kernel.cpp - ) + addtest( + TARGET PERF_MODULE_HSOLVER_KERNELS + LIBS parameter base device + SOURCES perf_math_kernel.cpp) endif() diff --git a/source/source_hsolver/module_genelpa/CMakeLists.txt b/source/source_hsolver/module_genelpa/CMakeLists.txt index 1d0fd2022c5..7b65cfd12bf 100644 --- a/source/source_hsolver/module_genelpa/CMakeLists.txt +++ b/source/source_hsolver/module_genelpa/CMakeLists.txt @@ -1,10 +1,5 @@ -add_library(genelpa OBJECT - elpa_new.cpp - elpa_new_real.cpp - elpa_new_complex.cpp - elpa_runtime_check.cpp - utils.cpp -) +add_library(genelpa OBJECT elpa_new.cpp elpa_new_real.cpp elpa_new_complex.cpp + elpa_runtime_check.cpp utils.cpp) if(ENABLE_COVERAGE) add_coverage(genelpa) diff --git a/source/source_hsolver/module_pexsi/CMakeLists.txt b/source/source_hsolver/module_pexsi/CMakeLists.txt index eea3600c058..90034325288 100644 --- a/source/source_hsolver/module_pexsi/CMakeLists.txt +++ b/source/source_hsolver/module_pexsi/CMakeLists.txt @@ -1,4 +1,5 @@ -add_library(pexsi OBJECT dist_bcd_matrix.cpp dist_ccs_matrix.cpp dist_mat_tf.cpp pexsi_solver.cpp simple_pexsi.cpp) +add_library(pexsi OBJECT dist_bcd_matrix.cpp dist_ccs_matrix.cpp + dist_mat_tf.cpp pexsi_solver.cpp simple_pexsi.cpp) if(ENABLE_COVERAGE) add_coverage(pexsi) diff --git a/source/source_hsolver/test/CMakeLists.txt b/source/source_hsolver/test/CMakeLists.txt index f98af874b45..a9489630cb1 100644 --- a/source/source_hsolver/test/CMakeLists.txt +++ b/source/source_hsolver/test/CMakeLists.txt @@ -3,131 +3,140 @@ abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__EXX) set(TD_LINEAR_TEST_SOURCES - ../hsolver_linear.cpp - ../linear_bicgstab.cpp - ../linear_cgs.cpp - ../linear_gmres.cpp - ../linear_algebra.cpp - ../cn_subspace.cpp - ../linear_low_rank.cpp - ../linear_workspace.cpp -) -AddTest( + ../hsolver_linear.cpp + ../linear_bicgstab.cpp + ../linear_cgs.cpp + ../linear_gmres.cpp + ../linear_algebra.cpp + ../cn_subspace.cpp + ../linear_low_rank.cpp + ../linear_workspace.cpp) +addtest( TARGET MODULE_HSOLVER_linear LIBS parameter base device container - SOURCES test_hsolver_linear.cpp test_cn_subspace.cpp test_linear_low_rank.cpp ${TD_LINEAR_TEST_SOURCES} -) -AddTest( + SOURCES test_hsolver_linear.cpp test_cn_subspace.cpp test_linear_low_rank.cpp + ${TD_LINEAR_TEST_SOURCES}) +addtest( TARGET MODULE_HSOLVER_pw_tddft LIBS parameter base device container psi planewave - SOURCES test_hsolver_pw_tddft.cpp test_orthonormal.cpp ../hsolver_pw_tddft.cpp ../orthonormal.cpp ../orthonormal_small.cpp ${TD_LINEAR_TEST_SOURCES} -) + SOURCES test_hsolver_pw_tddft.cpp test_orthonormal.cpp + ../hsolver_pw_tddft.cpp ../orthonormal.cpp ../orthonormal_small.cpp + ${TD_LINEAR_TEST_SOURCES}) if(ENABLE_MPI) add_test( NAME MODULE_HSOLVER_linear_parallel COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 2 ${MPIEXEC_PREFLAGS} - $ ${MPIEXEC_POSTFLAGS} - ) - set_tests_properties(MODULE_HSOLVER_linear_parallel PROPERTIES PROCESSORS 2 TIMEOUT 120) + $ ${MPIEXEC_POSTFLAGS}) + set_tests_properties(MODULE_HSOLVER_linear_parallel PROPERTIES PROCESSORS 2 + TIMEOUT 120) endif() -if (ENABLE_MPI) - AddTest( +if(ENABLE_MPI) + addtest( TARGET MODULE_HSOLVER_parak2d_test - LIBS parameter base device MPI::MPI_CXX - SOURCES parallel_k2d_test.cpp ../parallel_k2d.cpp ../../source_cell/parallel_kpoints.cpp - ) - AddTest( + LIBS parameter base device MPI::MPI_CXX + SOURCES parallel_k2d_test.cpp ../parallel_k2d.cpp + ../../source_cell/parallel_kpoints.cpp) + addtest( TARGET MODULE_HSOLVER_bpcg - LIBS parameter base psi device container - SOURCES diago_bpcg_test.cpp ../diago_bpcg.cpp ../para_lin_tf.cpp ../diago_iter_assist.cpp - ../../source_basis/module_pw/test/test_tool.cpp - ) - AddTest( + LIBS parameter base psi device container + SOURCES diago_bpcg_test.cpp ../diago_bpcg.cpp ../para_lin_tf.cpp + ../diago_iter_assist.cpp + ../../source_basis/module_pw/test/test_tool.cpp) + addtest( TARGET MODULE_HSOLVER_cg - LIBS parameter base psi device container - SOURCES diago_cg_test.cpp ../diago_cg.cpp ../diago_iter_assist.cpp ../diag_const_nums.cpp - ../../source_basis/module_pw/test/test_tool.cpp - ) - AddTest( + LIBS parameter base psi device container + SOURCES diago_cg_test.cpp ../diago_cg.cpp ../diago_iter_assist.cpp + ../diag_const_nums.cpp + ../../source_basis/module_pw/test/test_tool.cpp) + addtest( TARGET MODULE_HSOLVER_cg_float - LIBS parameter base psi device container - SOURCES diago_cg_float_test.cpp ../diago_cg.cpp ../diago_iter_assist.cpp ../diag_const_nums.cpp - ../../source_basis/module_pw/test/test_tool.cpp - ) - AddTest( + LIBS parameter base psi device container + SOURCES diago_cg_float_test.cpp ../diago_cg.cpp ../diago_iter_assist.cpp + ../diag_const_nums.cpp + ../../source_basis/module_pw/test/test_tool.cpp) + addtest( TARGET MODULE_HSOLVER_dav - LIBS parameter base psi device - SOURCES diago_david_test.cpp ../diago_david.cpp ../diago_iter_assist.cpp ../diag_const_nums.cpp - ../../source_basis/module_pw/test/test_tool.cpp - ) - AddTest( + LIBS parameter base psi device + SOURCES diago_david_test.cpp ../diago_david.cpp ../diago_iter_assist.cpp + ../diag_const_nums.cpp + ../../source_basis/module_pw/test/test_tool.cpp) + addtest( TARGET MODULE_HSOLVER_dav_float - LIBS parameter base psi device - SOURCES diago_david_float_test.cpp ../diago_david.cpp ../diago_iter_assist.cpp ../diag_const_nums.cpp - ../../source_basis/module_pw/test/test_tool.cpp - ) + LIBS parameter base psi device + SOURCES diago_david_float_test.cpp ../diago_david.cpp + ../diago_iter_assist.cpp ../diag_const_nums.cpp + ../../source_basis/module_pw/test/test_tool.cpp) if(ENABLE_LCAO) - AddTest( - TARGET MODULE_HSOLVER_cg_real - LIBS parameter base psi device container - SOURCES diago_cg_float_test.cpp ../diago_cg.cpp ../diago_iter_assist.cpp ../diag_const_nums.cpp - ../../source_basis/module_pw/test/test_tool.cpp - ) - AddTest( - TARGET MODULE_HSOLVER_dav_real - LIBS parameter base psi device - SOURCES diago_david_real_test.cpp ../diago_david.cpp ../diago_iter_assist.cpp ../diag_const_nums.cpp - ../../source_basis/module_pw/test/test_tool.cpp - ) + addtest( + TARGET MODULE_HSOLVER_cg_real + LIBS parameter base psi device container + SOURCES diago_cg_float_test.cpp ../diago_cg.cpp ../diago_iter_assist.cpp + ../diag_const_nums.cpp + ../../source_basis/module_pw/test/test_tool.cpp) + addtest( + TARGET MODULE_HSOLVER_dav_real + LIBS parameter base psi device + SOURCES diago_david_real_test.cpp ../diago_david.cpp + ../diago_iter_assist.cpp ../diag_const_nums.cpp + ../../source_basis/module_pw/test/test_tool.cpp) endif() - AddTest( + addtest( TARGET MODULE_HSOLVER_base - LIBS parameter psi device base - SOURCES test_hsolver.cpp ../hsolver.cpp - ) + LIBS parameter psi device base + SOURCES test_hsolver.cpp ../hsolver.cpp) - AddTest( + addtest( TARGET MODULE_HSOLVER_pw - LIBS parameter psi device base container symmetry - SOURCES test_hsolver_pw.cpp ../hsolver_pw.cpp ../hsolver_lcaopw.cpp ../diago_bpcg.cpp ../diago_dav_subspace.cpp ../diag_const_nums.cpp ../diago_iter_assist.cpp ../para_lin_tf.cpp - ../../source_estate/elecstate_tools.cpp ../../source_estate/occupy.cpp ../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp - ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/reciprocal_grid.cpp - ) + LIBS parameter psi device base container symmetry + SOURCES test_hsolver_pw.cpp + ../hsolver_pw.cpp + ../hsolver_lcaopw.cpp + ../diago_bpcg.cpp + ../diago_dav_subspace.cpp + ../diag_const_nums.cpp + ../diago_iter_assist.cpp + ../para_lin_tf.cpp + ../../source_estate/elecstate_tools.cpp + ../../source_estate/occupy.cpp + ../../source_base/module_fft/fft_bundle.cpp + ../../source_base/module_fft/fft_cpu.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/reciprocal_grid.cpp) if(ENABLE_LCAO) if(TARGET ELPA::ELPA) - AddTest( - TARGET MODULE_HSOLVER_LCAO - LIBS parameter ELPA::ELPA base genelpa psi device - SOURCES diago_lcao_test.cpp ../diago_elpa.cpp ../diago_elpa_native.cpp ../diago_scalapack.cpp ../diago_lapack.cpp - ) + addtest( + TARGET MODULE_HSOLVER_LCAO + LIBS parameter ELPA::ELPA base genelpa psi device + SOURCES diago_lcao_test.cpp ../diago_elpa.cpp ../diago_elpa_native.cpp + ../diago_scalapack.cpp ../diago_lapack.cpp) else() - AddTest( + addtest( TARGET MODULE_HSOLVER_LCAO - LIBS parameter base psi device - SOURCES diago_lcao_test.cpp ../diago_scalapack.cpp ../diago_lapack.cpp - ) + LIBS parameter base psi device + SOURCES diago_lcao_test.cpp ../diago_scalapack.cpp ../diago_lapack.cpp) endif() - if (TARGET PEXSI::PEXSI) - AddTest( - TARGET MODULE_HSOLVER_LCAO_PEXSI - LIBS parameter PEXSI::PEXSI base psi device pexsi - SOURCES diago_pexsi_test.cpp ../diago_pexsi.cpp ../../source_basis/module_ao/parallel_orbitals.cpp - ) + if(TARGET PEXSI::PEXSI) + addtest( + TARGET MODULE_HSOLVER_LCAO_PEXSI + LIBS parameter PEXSI::PEXSI base psi device pexsi + SOURCES diago_pexsi_test.cpp ../diago_pexsi.cpp + ../../source_basis/module_ao/parallel_orbitals.cpp) endif() endif() - if (USE_CUDA) - AddTest( - TARGET MODULE_HSOLVER_LCAO_cusolver - LIBS parameter base psi device - SOURCES diago_lcao_cusolver_test.cpp ../diago_cusolver.cpp ../diago_scalapack.cpp - ../kernels/hegvd_op.cpp - ../kernels/cuda/diag_cusolver.cu - ) - target_compile_definitions(MODULE_HSOLVER_LCAO_cusolver PRIVATE __CUDA) + if(USE_CUDA) + addtest( + TARGET MODULE_HSOLVER_LCAO_cusolver + LIBS parameter base psi device + SOURCES diago_lcao_cusolver_test.cpp ../diago_cusolver.cpp + ../diago_scalapack.cpp ../kernels/hegvd_op.cpp + ../kernels/cuda/diag_cusolver.cu) + target_compile_definitions(MODULE_HSOLVER_LCAO_cusolver PRIVATE __CUDA) endif() endif() abacus_copy_test_files( @@ -154,105 +163,100 @@ abacus_copy_test_files( if(ENABLE_MPI) if(TARGET ELPA::ELPA) - AddTest( + addtest( TARGET MODULE_HSOLVER_diago_hs_parallel - LIBS parameter ELPA::ELPA base device MPI::MPI_CXX genelpa psi - SOURCES - test_diago_hs_para.cpp - ../diag_hs_para.cpp - ../diago_pxxxgvx.cpp - ../diago_elpa.cpp - ../diago_scalapack.cpp - ) + LIBS parameter + ELPA::ELPA + base + device + MPI::MPI_CXX + genelpa + psi + SOURCES test_diago_hs_para.cpp ../diag_hs_para.cpp ../diago_pxxxgvx.cpp + ../diago_elpa.cpp ../diago_scalapack.cpp) else() - AddTest( + addtest( TARGET MODULE_HSOLVER_diago_hs_parallel LIBS parameter base device MPI::MPI_CXX psi - SOURCES - test_diago_hs_para.cpp - ../diag_hs_para.cpp - ../diago_pxxxgvx.cpp - ../diago_scalapack.cpp - ) + SOURCES test_diago_hs_para.cpp ../diag_hs_para.cpp ../diago_pxxxgvx.cpp + ../diago_scalapack.cpp) endif() - AddTest( + addtest( TARGET MODULE_HSOLVER_linear_trans LIBS parameter base device MPI::MPI_CXX - SOURCES test_para_linear_trans.cpp ../para_lin_tf.cpp - ) + SOURCES test_para_linear_trans.cpp ../para_lin_tf.cpp) add_test( NAME MODULE_HSOLVER_para_linear_trans COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - ) + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) endif() find_program(BASH bash) -if (ENABLE_MPI) - add_test(NAME MODULE_HSOLVER_cg_parallel - COMMAND ${BASH} diago_cg_parallel_test.sh - "$" - "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - ) - add_test(NAME MODULE_HSOLVER_parak2d_test_parallel - COMMAND ${BASH} parallel_k2d_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - ) - add_test(NAME MODULE_HSOLVER_dav_parallel - COMMAND ${BASH} diago_david_parallel_test.sh - "$" - "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - ) +if(ENABLE_MPI) + add_test( + NAME MODULE_HSOLVER_cg_parallel + COMMAND ${BASH} diago_cg_parallel_test.sh "$" + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) + add_test( + NAME MODULE_HSOLVER_parak2d_test_parallel + COMMAND ${BASH} parallel_k2d_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) + add_test( + NAME MODULE_HSOLVER_dav_parallel + COMMAND + ${BASH} diago_david_parallel_test.sh "$" + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) if(ENABLE_LCAO) - add_test(NAME MODULE_HSOLVER_LCAO_parallel - COMMAND ${BASH} diago_lcao_parallel_test.sh - "$" - "$" - "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - ) + add_test( + NAME MODULE_HSOLVER_LCAO_parallel + COMMAND + ${BASH} diago_lcao_parallel_test.sh "$" + "$" + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) if(ENABLE_PEXSI) - add_test(NAME MODULE_HSOLVER_LCAO_PEXSI_parallel - COMMAND ${BASH} diago_pexsi_parallel_test.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} - ) + add_test( + NAME MODULE_HSOLVER_LCAO_PEXSI_parallel + COMMAND ${BASH} diago_pexsi_parallel_test.sh + "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) endif() endif() endif() if(ENABLE_LCAO) set(DAVIDSON_OWNERSHIP_SOURCES - test_diago_david.cpp - ../diago_david.cpp - ../diago_dav_subspace.cpp - ../diago_cg.cpp - ../diago_iter_assist.cpp - ../diag_const_nums.cpp - ) + test_diago_david.cpp ../diago_david.cpp ../diago_dav_subspace.cpp + ../diago_cg.cpp ../diago_iter_assist.cpp ../diag_const_nums.cpp) set(DAVIDSON_OWNERSHIP_LIBS parameter base psi device container) if(ENABLE_MPI) - list(APPEND DAVIDSON_OWNERSHIP_SOURCES - ../diag_hs_para.cpp ../diago_pxxxgvx.cpp ../diago_scalapack.cpp) + list(APPEND DAVIDSON_OWNERSHIP_SOURCES ../diag_hs_para.cpp + ../diago_pxxxgvx.cpp ../diago_scalapack.cpp) if(TARGET ELPA::ELPA) list(APPEND DAVIDSON_OWNERSHIP_SOURCES ../diago_elpa.cpp) list(APPEND DAVIDSON_OWNERSHIP_LIBS ELPA::ELPA genelpa) endif() endif() - AddTest( + addtest( TARGET MODULE_HSOLVER_empty_blocks LIBS ${DAVIDSON_OWNERSHIP_LIBS} - SOURCES ${DAVIDSON_OWNERSHIP_SOURCES} - ) - set_tests_properties(MODULE_HSOLVER_empty_blocks PROPERTIES - TIMEOUT 120 ENVIRONMENT "OMP_NUM_THREADS=1;MKL_NUM_THREADS=1;OPENBLAS_NUM_THREADS=1") + SOURCES ${DAVIDSON_OWNERSHIP_SOURCES}) + set_tests_properties( + MODULE_HSOLVER_empty_blocks + PROPERTIES TIMEOUT 120 ENVIRONMENT + "OMP_NUM_THREADS=1;MKL_NUM_THREADS=1;OPENBLAS_NUM_THREADS=1") if(ENABLE_MPI) add_test(NAME MODULE_HSOLVER_empty_blocks_mpi - COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 4 $) - set_tests_properties(MODULE_HSOLVER_empty_blocks_mpi PROPERTIES PROCESSORS 4 TIMEOUT 120 - ENVIRONMENT "OMP_NUM_THREADS=1;MKL_NUM_THREADS=1;OPENBLAS_NUM_THREADS=1") + COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 4 + $) + set_tests_properties( + MODULE_HSOLVER_empty_blocks_mpi + PROPERTIES PROCESSORS 4 TIMEOUT 120 ENVIRONMENT + "OMP_NUM_THREADS=1;MKL_NUM_THREADS=1;OPENBLAS_NUM_THREADS=1") endif() endif() diff --git a/source/source_io/CMakeLists.txt b/source/source_io/CMakeLists.txt index 32a97fbdb37..900e38ea9bd 100644 --- a/source/source_io/CMakeLists.txt +++ b/source/source_io/CMakeLists.txt @@ -1,167 +1,155 @@ # Note: Help data is embedded in Input_Item registrations under module_parameter. # The old input_help_data.h generation has been removed. -list(APPEND objects - module_parameter/input_conv.cpp - module_ctrl/ctrl_output_fp.cpp - module_ctrl/ctrl_output_pw.cpp - module_ctrl/ctrl_output_td.cpp - module_bessel/bessel_basis.cpp - module_output/cal_test.cpp - module_dos/cal_dos.cpp - module_dos/cal_ldos.cpp - module_ml/cal_mlkedf_desc.cpp - module_dos/write_dos_pw.cpp - module_energy/write_bands.cpp - module_energy/write_eig_occ.cpp - module_energy/td_eij_io.cpp - module_bessel/numerical_basis.cpp - module_bessel/numerical_basis_overlap.cpp - module_bessel/numerical_basis_output.cpp - module_bessel/numerical_basis_jyjy.cpp - module_bessel/numerical_descriptor.cpp - module_output/print_info.cpp - module_output/read_cube.cpp - module_wf/read_wfc_pw.cpp - module_wf/read_wf2rho_pw.cpp - module_restart/restart.cpp - module_wf/write_wfc_pw.cpp - module_output/write_pao.cpp - module_output/write_cube.cpp - module_elf/write_elf.cpp - module_dipole/write_dipole.cpp - module_ml/write_mlkedf_desc.cpp - module_current/td_current_io.cpp - module_current/td_current_io_comm.cpp - module_current/td_current_pw.cpp - module_efield/td_efield_io.cpp - module_efield/td_vector_pot_io.cpp - module_chgpot/write_libxc_r.cpp - module_output/output_log.cpp - module_json/para_json.cpp - parse_args.cpp - input_help.cpp - module_chgpot/get_pchg_pw.cpp - module_wf/get_wf_pw.cpp -) +list( + APPEND + objects + module_parameter/input_conv.cpp + module_ctrl/ctrl_output_fp.cpp + module_ctrl/ctrl_output_pw.cpp + module_ctrl/ctrl_output_td.cpp + module_bessel/bessel_basis.cpp + module_output/cal_test.cpp + module_dos/cal_dos.cpp + module_dos/cal_ldos.cpp + module_ml/cal_mlkedf_desc.cpp + module_dos/write_dos_pw.cpp + module_energy/write_bands.cpp + module_energy/write_eig_occ.cpp + module_energy/td_eij_io.cpp + module_bessel/numerical_basis.cpp + module_bessel/numerical_basis_overlap.cpp + module_bessel/numerical_basis_output.cpp + module_bessel/numerical_basis_jyjy.cpp + module_bessel/numerical_descriptor.cpp + module_output/print_info.cpp + module_output/read_cube.cpp + module_wf/read_wfc_pw.cpp + module_wf/read_wf2rho_pw.cpp + module_restart/restart.cpp + module_wf/write_wfc_pw.cpp + module_output/write_pao.cpp + module_output/write_cube.cpp + module_elf/write_elf.cpp + module_dipole/write_dipole.cpp + module_ml/write_mlkedf_desc.cpp + module_current/td_current_io.cpp + module_current/td_current_io_comm.cpp + module_current/td_current_pw.cpp + module_efield/td_efield_io.cpp + module_efield/td_vector_pot_io.cpp + module_chgpot/write_libxc_r.cpp + module_output/output_log.cpp + module_json/para_json.cpp + parse_args.cpp + input_help.cpp + module_chgpot/get_pchg_pw.cpp + module_wf/get_wf_pw.cpp) -list(APPEND objects_advanced - module_unk/unk_overlap_pw.cpp - module_unk/berryphase.cpp - module_wannier/to_w90.cpp - module_wannier/to_w90_pw.cpp - module_wannier/to_w90_pw_io.cpp - module_wannier/to_w90_pw_setup.cpp - module_wannier/to_w90_pw_overlap.cpp - module_wannier/to_w90_lcao_pw.cpp - module_wannier/to_w90_lcao.cpp - module_wannier/to_w90_lcao_io.cpp - module_wannier/to_w90_lcao_setup.cpp - module_wannier/to_w90_lcao_overlap.cpp - module_wannier/fr_overlap.cpp -) +list( + APPEND + objects_advanced + module_unk/unk_overlap_pw.cpp + module_unk/berryphase.cpp + module_wannier/to_w90.cpp + module_wannier/to_w90_pw.cpp + module_wannier/to_w90_pw_io.cpp + module_wannier/to_w90_pw_setup.cpp + module_wannier/to_w90_pw_overlap.cpp + module_wannier/to_w90_lcao_pw.cpp + module_wannier/to_w90_lcao.cpp + module_wannier/to_w90_lcao_io.cpp + module_wannier/to_w90_lcao_setup.cpp + module_wannier/to_w90_lcao_overlap.cpp + module_wannier/fr_overlap.cpp) if(ENABLE_LCAO) - list(APPEND objects - module_dos/write_dos_lcao.cpp - module_dos/cal_pdos_gamma.cpp - module_dos/cal_pdos_multik.cpp - module_dos/write_pdos_text.cpp - module_output/write_orb_info.cpp - module_energy/write_proj_band_lcao.cpp - module_chgpot/get_pchg_lcao.cpp - module_wf/get_wf_lcao.cpp - module_wf/read_wfc_nao.cpp - module_wf/write_wfc_nao.cpp - module_dm/write_dmk.cpp - module_dm/write_dmr.cpp - module_qo/to_qo_kernel.cpp - module_qo/to_qo_mpi.cpp - module_qo/to_qo_structures.cpp - module_mulliken/output_sk.cpp - module_mulliken/output_dmk.cpp - module_mulliken/output_mulliken.cpp - module_ml/io_npz.cpp - module_hs/angmom_op_mat.cpp - module_dhs/write_dh.cpp - module_dhs/write_dh_terms.cpp - ) - list(APPEND objects_advanced - module_unk/unk_overlap_lcao.cpp - module_hs/hs_dense_io.cpp - module_hs/hs_sparse_io.cpp - module_hs/dhs_sparse_writer.cpp - module_hs/hsk_writer.cpp - module_hs/hsr_writer.cpp - module_hs/hsr_legacy.cpp - module_hs/hterm_writer.cpp - module_hs/lat_r_csr.cpp - module_hs/pos_op_csr.cpp - module_hs/pos_op_basis.cpp - module_hs/pos_op_calc.cpp - module_hs/pos_op_writer.cpp - module_hs/pos_op_mat.cpp - module_hs/vxc_op_tools.cpp - module_hs/vxc_op_mat.cpp - module_hs/vxc_op_r.cpp - module_hs/vxc_op_lip.cpp - module_hs/output_mat_sparse.cpp - module_energy/write_eband_terms.cpp - module_ctrl/ctrl_scf_lcao.cpp - module_ctrl/ctrl_runner_lcao.cpp - module_ctrl/ctrl_iter_lcao.cpp - ) + list( + APPEND + objects + module_dos/write_dos_lcao.cpp + module_dos/cal_pdos_gamma.cpp + module_dos/cal_pdos_multik.cpp + module_dos/write_pdos_text.cpp + module_output/write_orb_info.cpp + module_energy/write_proj_band_lcao.cpp + module_chgpot/get_pchg_lcao.cpp + module_wf/get_wf_lcao.cpp + module_wf/read_wfc_nao.cpp + module_wf/write_wfc_nao.cpp + module_dm/write_dmk.cpp + module_dm/write_dmr.cpp + module_qo/to_qo_kernel.cpp + module_qo/to_qo_mpi.cpp + module_qo/to_qo_structures.cpp + module_mulliken/output_sk.cpp + module_mulliken/output_dmk.cpp + module_mulliken/output_mulliken.cpp + module_ml/io_npz.cpp + module_hs/angmom_op_mat.cpp + module_dhs/write_dh.cpp + module_dhs/write_dh_terms.cpp) + list( + APPEND + objects_advanced + module_unk/unk_overlap_lcao.cpp + module_hs/hs_dense_io.cpp + module_hs/hs_sparse_io.cpp + module_hs/dhs_sparse_writer.cpp + module_hs/hsk_writer.cpp + module_hs/hsr_writer.cpp + module_hs/hsr_legacy.cpp + module_hs/hterm_writer.cpp + module_hs/lat_r_csr.cpp + module_hs/pos_op_csr.cpp + module_hs/pos_op_basis.cpp + module_hs/pos_op_calc.cpp + module_hs/pos_op_writer.cpp + module_hs/pos_op_mat.cpp + module_hs/vxc_op_tools.cpp + module_hs/vxc_op_mat.cpp + module_hs/vxc_op_r.cpp + module_hs/vxc_op_lip.cpp + module_hs/output_mat_sparse.cpp + module_energy/write_eband_terms.cpp + module_ctrl/ctrl_scf_lcao.cpp + module_ctrl/ctrl_runner_lcao.cpp + module_ctrl/ctrl_iter_lcao.cpp) if(ENABLE_LIBRI) - list(APPEND objects - module_restart/restart_exx_csr.cpp - ) + list(APPEND objects module_restart/restart_exx_csr.cpp) endif() endif() add_library( - io_input - OBJECT - module_parameter/read_inp_sys.cpp - module_parameter/read_inp_estruc.cpp - module_parameter/read_inp_relax.cpp - module_parameter/read_input_item_md.cpp - module_parameter/read_inp_ofdft.cpp - module_parameter/read_input_item_sdft.cpp - module_parameter/read_inp_tddft.cpp - module_parameter/read_inp_bse.cpp - module_parameter/read_inp_dfpt.cpp - module_parameter/read_inp_deepks.cpp - module_parameter/read_inp_model.cpp - module_parameter/read_inp_sccs.cpp - module_parameter/read_inp_postproc.cpp - module_parameter/read_inp_exx_dftu.cpp - module_parameter/read_inp_other.cpp - module_parameter/read_inp_out.cpp - module_parameter/availability.cpp - module_parameter/availability_validator.cpp - module_parameter/input_domain.cpp - module_parameter/read_input.cpp - module_parameter/read_set_globalv.cpp -) + io_input OBJECT + module_parameter/read_inp_sys.cpp + module_parameter/read_inp_estruc.cpp + module_parameter/read_inp_relax.cpp + module_parameter/read_input_item_md.cpp + module_parameter/read_inp_ofdft.cpp + module_parameter/read_input_item_sdft.cpp + module_parameter/read_inp_tddft.cpp + module_parameter/read_inp_bse.cpp + module_parameter/read_inp_dfpt.cpp + module_parameter/read_inp_deepks.cpp + module_parameter/read_inp_model.cpp + module_parameter/read_inp_sccs.cpp + module_parameter/read_inp_postproc.cpp + module_parameter/read_inp_exx_dftu.cpp + module_parameter/read_inp_other.cpp + module_parameter/read_inp_out.cpp + module_parameter/availability.cpp + module_parameter/availability_validator.cpp + module_parameter/input_domain.cpp + module_parameter/read_input.cpp + module_parameter/read_set_globalv.cpp) -add_library( - io_basic - OBJECT - ${objects} -) +add_library(io_basic OBJECT ${objects}) # Include directory for build_info.h (generated at build time) -target_include_directories( - io_basic - PUBLIC - ${CMAKE_BINARY_DIR}/source/source_io -) +target_include_directories(io_basic PUBLIC ${CMAKE_BINARY_DIR}/source/source_io) -add_library( - io_advanced - OBJECT - ${objects_advanced} -) +add_library(io_advanced OBJECT ${objects_advanced}) if(ENABLE_COVERAGE) add_coverage(io_basic) diff --git a/source/source_io/module_dos/unittests/CMakeLists.txt b/source/source_io/module_dos/unittests/CMakeLists.txt index 4660eec50b8..525ebce5aab 100644 --- a/source/source_io/module_dos/unittests/CMakeLists.txt +++ b/source/source_io/module_dos/unittests/CMakeLists.txt @@ -7,31 +7,33 @@ abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__MLALGO) abacus_disable_feature_definitions(_OPENMP) -if (ENABLE_MPI) +if(ENABLE_MPI) -AddTest( - TARGET MODULE_DOS_cal_dos - LIBS parameter base device - SOURCES test_cal_dos.cpp ../cal_dos.cpp -) + addtest( + TARGET MODULE_DOS_cal_dos + LIBS parameter base device + SOURCES test_cal_dos.cpp ../cal_dos.cpp) -AddTest( - TARGET MODULE_DOS_write_dos_pw - LIBS parameter base device symmetry - SOURCES test_write_dos_pw.cpp ../write_dos_pw.cpp ../cal_dos.cpp - ../../../source_cell/parallel_kpoints.cpp ../../../source_cell/klist.cpp - ../../../source_cell/klist_io.cpp ../../../source_cell/reciprocal_grid.cpp -) + addtest( + TARGET MODULE_DOS_write_dos_pw + LIBS parameter base device symmetry + SOURCES test_write_dos_pw.cpp + ../write_dos_pw.cpp + ../cal_dos.cpp + ../../../source_cell/parallel_kpoints.cpp + ../../../source_cell/klist.cpp + ../../../source_cell/klist_io.cpp + ../../../source_cell/reciprocal_grid.cpp) -AddTest( - TARGET MODULE_DOS_write_pdos_text - LIBS parameter base device - SOURCES test_write_pdos_text.cpp ../write_pdos_text.cpp - ../../../source_cell/atom_spec.cpp - ../../../source_cell/atom_pseudo.cpp - ../../../source_cell/pseudo.cpp - ../../../source_cell/magnetism.cpp - ../../../source_cell/test/support/mock_unitcell.cpp -) + addtest( + TARGET MODULE_DOS_write_pdos_text + LIBS parameter base device + SOURCES test_write_pdos_text.cpp + ../write_pdos_text.cpp + ../../../source_cell/atom_spec.cpp + ../../../source_cell/atom_pseudo.cpp + ../../../source_cell/pseudo.cpp + ../../../source_cell/magnetism.cpp + ../../../source_cell/test/support/mock_unitcell.cpp) endif() diff --git a/source/source_io/module_hs/unittests/CMakeLists.txt b/source/source_io/module_hs/unittests/CMakeLists.txt index 3cc91801afa..56c2dcd8799 100644 --- a/source/source_io/module_hs/unittests/CMakeLists.txt +++ b/source/source_io/module_hs/unittests/CMakeLists.txt @@ -1,145 +1,124 @@ -AddTest( +addtest( TARGET MODULE_IO_hsk_writer_test LIBS parameter base device - SOURCES - test_hsk_writer.cpp - ../hsk_writer.cpp - ../hs_dense_io.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp -) + SOURCES test_hsk_writer.cpp ../hsk_writer.cpp ../hs_dense_io.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp) add_test( NAME MODULE_IO_hsk_writer_test_parallel COMMAND mpirun -np 2 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( +addtest( TARGET MODULE_IO_lat_r_csr_test LIBS parameter - SOURCES test_lat_r_csr.cpp ../lat_r_csr.cpp - ../../../source_base/global_variable.cpp - ../../../source_base/parallel_reduce.cpp - ../../../source_base/parallel_common.cpp - ../../../source_base/parallel_global.cpp - ../../../source_base/parallel_comm.cpp - ../../../source_base/tool_quit.cpp ../../../source_base/global_file.cpp ../../../source_base/global_function.cpp ../../../source_base/memory_recorder.cpp ../../../source_base/timer.cpp -) + SOURCES test_lat_r_csr.cpp + ../lat_r_csr.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/parallel_reduce.cpp + ../../../source_base/parallel_common.cpp + ../../../source_base/parallel_global.cpp + ../../../source_base/parallel_comm.cpp + ../../../source_base/tool_quit.cpp + ../../../source_base/global_file.cpp + ../../../source_base/global_function.cpp + ../../../source_base/memory_recorder.cpp + ../../../source_base/timer.cpp) if(ENABLE_LCAO) -AddTest( - TARGET MODULE_IO_vxc_op_tools_test - LIBS parameter base device - SOURCES - test_vxc_op_tools.cpp - ../vxc_op_tools.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp -) + addtest( + TARGET MODULE_IO_vxc_op_tools_test + LIBS parameter base device + SOURCES test_vxc_op_tools.cpp ../vxc_op_tools.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp) -AddTest( - TARGET MODULE_IO_hs_dense_io_test - LIBS parameter - SOURCES - test_hs_dense_io.cpp - ../hs_dense_io.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_base/global_variable.cpp - ../../../source_base/parallel_2d.cpp - ../../../source_base/parallel_reduce.cpp - ../../../source_base/parallel_common.cpp - ../../../source_base/parallel_global.cpp - ../../../source_base/parallel_comm.cpp - ../../../source_base/tool_quit.cpp - ../../../source_base/tool_title.cpp - ../../../source_base/global_file.cpp - ../../../source_base/global_function.cpp - ../../../source_base/memory_recorder.cpp - ../../../source_base/timer.cpp -) + addtest( + TARGET MODULE_IO_hs_dense_io_test + LIBS parameter + SOURCES test_hs_dense_io.cpp + ../hs_dense_io.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/parallel_2d.cpp + ../../../source_base/parallel_reduce.cpp + ../../../source_base/parallel_common.cpp + ../../../source_base/parallel_global.cpp + ../../../source_base/parallel_comm.cpp + ../../../source_base/tool_quit.cpp + ../../../source_base/tool_title.cpp + ../../../source_base/global_file.cpp + ../../../source_base/global_function.cpp + ../../../source_base/memory_recorder.cpp + ../../../source_base/timer.cpp) -add_test( - NAME MODULE_IO_hs_dense_io_test_parallel - COMMAND mpirun -np 2 "$" - --gtest_filter=HsDenseIoSaveMat.BinaryGammaUpperTriangle:HsDenseIoSaveMat.BinaryComplexUpperTriangleMpiReduction:HsDenseIoSaveMat.BinaryAppendCompleteRecordsAndOverwrite - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) + add_test( + NAME MODULE_IO_hs_dense_io_test_parallel + COMMAND + mpirun -np 2 "$" + --gtest_filter=HsDenseIoSaveMat.BinaryGammaUpperTriangle:HsDenseIoSaveMat.BinaryComplexUpperTriangleMpiReduction:HsDenseIoSaveMat.BinaryAppendCompleteRecordsAndOverwrite + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( - TARGET MODULE_IO_hsr_writer_test - LIBS parameter base device hcontainer - SOURCES - test_hsr_writer.cpp - ../hsr_writer.cpp - ../../../source_estate/fp_energy.cpp - ../../../source_cell/ucell_io.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_hamilt/module_hcontainer/test/tmp_mocks.cpp -) + addtest( + TARGET MODULE_IO_hsr_writer_test + LIBS parameter base device hcontainer + SOURCES test_hsr_writer.cpp + ../hsr_writer.cpp + ../../../source_estate/fp_energy.cpp + ../../../source_cell/ucell_io.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_hamilt/module_hcontainer/test/tmp_mocks.cpp) -add_test( - NAME MODULE_IO_hsr_writer_test_parallel - COMMAND mpirun -np 2 "$" - --gtest_filter=HsrWriterIo.HContainerBinaryMpiGatherWritesCompleteFiles - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) + add_test( + NAME MODULE_IO_hsr_writer_test_parallel + COMMAND + mpirun -np 2 "$" + --gtest_filter=HsrWriterIo.HContainerBinaryMpiGatherWritesCompleteFiles + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( - TARGET MODULE_IO_angmom_op_mat_test - LIBS parameter base device neighbor - SOURCES - test_angmom_op_mat.cpp - ../angmom_op_mat.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - ../../../source_basis/module_ao/orb_atomic.cpp - ../../../source_basis/module_nao/radial_set.cpp - ../../../source_basis/module_nao/numerical_radial.cpp - ../../../source_basis/module_nao/beta_radials.cpp - ../../../source_basis/module_nao/hydrogen_radials.cpp - ../../../source_basis/module_nao/pswfc_radials.cpp - ../../../source_basis/module_nao/atomic_radials.cpp - ../../../source_basis/module_nao/smoothgen.cpp - ../../../source_basis/module_nao/sphbes_radials.cpp - ../../../source_basis/module_nao/two_center_integrator.cpp - ../../../source_basis/module_nao/two_center_table.cpp - ../../../source_basis/module_nao/real_gaunt_table.cpp - ../../../source_basis/module_nao/radial_collection.cpp -) + addtest( + TARGET MODULE_IO_angmom_op_mat_test + LIBS parameter base device neighbor + SOURCES test_angmom_op_mat.cpp + ../angmom_op_mat.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + ../../../source_basis/module_ao/orb_atomic.cpp + ../../../source_basis/module_nao/radial_set.cpp + ../../../source_basis/module_nao/numerical_radial.cpp + ../../../source_basis/module_nao/beta_radials.cpp + ../../../source_basis/module_nao/hydrogen_radials.cpp + ../../../source_basis/module_nao/pswfc_radials.cpp + ../../../source_basis/module_nao/atomic_radials.cpp + ../../../source_basis/module_nao/smoothgen.cpp + ../../../source_basis/module_nao/sphbes_radials.cpp + ../../../source_basis/module_nao/two_center_integrator.cpp + ../../../source_basis/module_nao/two_center_table.cpp + ../../../source_basis/module_nao/real_gaunt_table.cpp + ../../../source_basis/module_nao/radial_collection.cpp) -AddTest( - TARGET MODULE_IO_pos_op_csr_test - LIBS parameter base device - SOURCES - test_pos_op_csr.cpp - ../pos_op_csr.cpp -) + addtest( + TARGET MODULE_IO_pos_op_csr_test + LIBS parameter base device + SOURCES test_pos_op_csr.cpp ../pos_op_csr.cpp) -AddTest( - TARGET MODULE_IO_hs_sparse_io_test - LIBS parameter base device hcontainer - SOURCES - test_hs_sparse_io.cpp - ../hs_sparse_io.cpp - ../lat_r_csr.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_hamilt/module_hcontainer/test/tmp_mocks.cpp -) + addtest( + TARGET MODULE_IO_hs_sparse_io_test + LIBS parameter base device hcontainer + SOURCES test_hs_sparse_io.cpp ../hs_sparse_io.cpp ../lat_r_csr.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_hamilt/module_hcontainer/test/tmp_mocks.cpp) -AddTest( - TARGET MODULE_IO_dhs_sparse_writer_test - LIBS parameter base device hcontainer - SOURCES - test_dhs_sparse_writer.cpp - ../dhs_sparse_writer.cpp - ../hs_sparse_io.cpp - ../lat_r_csr.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_hamilt/module_hcontainer/test/tmp_mocks.cpp -) + addtest( + TARGET MODULE_IO_dhs_sparse_writer_test + LIBS parameter base device hcontainer + SOURCES test_dhs_sparse_writer.cpp + ../dhs_sparse_writer.cpp + ../hs_sparse_io.cpp + ../lat_r_csr.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_hamilt/module_hcontainer/test/tmp_mocks.cpp) -AddTest( - TARGET MODULE_IO_output_mat_sparse_test - LIBS parameter base device - SOURCES - test_output_mat_sparse.cpp -) + addtest( + TARGET MODULE_IO_output_mat_sparse_test + LIBS parameter base device + SOURCES test_output_mat_sparse.cpp) endif() diff --git a/source/source_io/module_json/CMakeLists.txt b/source/source_io/module_json/CMakeLists.txt index e60a646bb98..9d2510d2a51 100644 --- a/source/source_io/module_json/CMakeLists.txt +++ b/source/source_io/module_json/CMakeLists.txt @@ -1,15 +1,7 @@ -list(APPEND objects_json - abacusjson.cpp - general_info.cpp - init_info.cpp - output_info.cpp -) +list(APPEND objects_json abacusjson.cpp general_info.cpp init_info.cpp + output_info.cpp) -add_library( - json_output - OBJECT - ${objects_json} -) +add_library(json_output OBJECT ${objects_json}) if(ENABLE_COVERAGE) add_coverage(json_output) diff --git a/source/source_io/module_json/test/CMakeLists.txt b/source/source_io/module_json/test/CMakeLists.txt index 8998a4f1ea4..e828339c7a4 100644 --- a/source/source_io/module_json/test/CMakeLists.txt +++ b/source/source_io/module_json/test/CMakeLists.txt @@ -3,8 +3,7 @@ abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__EXX) -AddTest( +addtest( TARGET MODULE_IO_JSON_OUTPUT_TEST LIBS parameter base device cell_info json_output - SOURCES para_json_test.cpp ../para_json.cpp -) + SOURCES para_json_test.cpp ../para_json.cpp) diff --git a/source/source_io/module_parameter/CMakeLists.txt b/source/source_io/module_parameter/CMakeLists.txt index 03ffaa12186..0dc19427ed0 100644 --- a/source/source_io/module_parameter/CMakeLists.txt +++ b/source/source_io/module_parameter/CMakeLists.txt @@ -1,9 +1,4 @@ - -add_library( - parameter - OBJECT - parameter.cpp -) +add_library(parameter OBJECT parameter.cpp) # if(ENABLE_COVERAGE) # add_coverage(parameter) @@ -11,4 +6,4 @@ add_library( # if(BUILD_TESTING) # add_subdirectory(test) -# endif() \ No newline at end of file +# endif() diff --git a/source/source_io/module_parameter/test/CMakeLists.txt b/source/source_io/module_parameter/test/CMakeLists.txt index 5b0b6a5d9cc..747d28d1bc8 100644 --- a/source/source_io/module_parameter/test/CMakeLists.txt +++ b/source/source_io/module_parameter/test/CMakeLists.txt @@ -1,13 +1,9 @@ # The availability parser and metadata validator depend only on the standard # library. Keep this target outside ENABLE_MPI so serial-only builds exercise it. -AddTest( - TARGET MODULE_IO_availability - SOURCES availability_test.cpp - ../availability.cpp - ../availability_validator.cpp -) +addtest(TARGET MODULE_IO_availability + SOURCES availability_test.cpp ../availability.cpp + ../availability_validator.cpp) -AddTest( - TARGET MODULE_IO_input_domain - SOURCES test_input_domain.cpp ../input_domain.cpp ../availability.cpp ../availability_validator.cpp -) +addtest(TARGET MODULE_IO_input_domain + SOURCES test_input_domain.cpp ../input_domain.cpp ../availability.cpp + ../availability_validator.cpp) diff --git a/source/source_io/test/CMakeLists.txt b/source/source_io/test/CMakeLists.txt index a11fa9af8ac..ccbf6bc85ed 100644 --- a/source/source_io/test/CMakeLists.txt +++ b/source/source_io/test/CMakeLists.txt @@ -3,192 +3,207 @@ abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__EXX) -AddTest( +addtest( TARGET MODULE_IO_write_bands LIBS parameter base device symmetry - SOURCES write_bands_test.cpp ../module_energy/write_bands.cpp - ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp - ../../source_cell/parallel_kpoints.cpp ../../source_cell/reciprocal_grid.cpp -) + SOURCES write_bands_test.cpp + ../module_energy/write_bands.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/reciprocal_grid.cpp) -AddTest( - TARGET MODULE_IO_spin_tag - SOURCES test_spin_tag.cpp -) +addtest(TARGET MODULE_IO_spin_tag SOURCES test_spin_tag.cpp) if(NOT ENABLE_MPI) return() endif() -add_test(NAME MODULE_IO_write_bands_parallel +add_test( + NAME MODULE_IO_write_bands_parallel COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 4 ${MPIEXEC_PREFLAGS} - $ ${MPIEXEC_POSTFLAGS} - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) -set_tests_properties(MODULE_IO_write_bands_parallel PROPERTIES PROCESSORS 4 TIMEOUT 120) + $ ${MPIEXEC_POSTFLAGS} + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +set_tests_properties(MODULE_IO_write_bands_parallel PROPERTIES PROCESSORS 4 + TIMEOUT 120) -abacus_copy_test_files( - support - INPUTs) +abacus_copy_test_files(support INPUTs) -AddTest( +addtest( TARGET MODULE_IO_input_test_para - LIBS parameter base device io_input - SOURCES read_input_ptest.cpp -) + LIBS parameter base device io_input + SOURCES read_input_ptest.cpp) -add_test(NAME MODULE_IO_input_test_para_4 - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_IO_input_test_para_4 + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( +addtest( TARGET MODULE_IO_read_exit_file_test - LIBS parameter base device - SOURCES read_exit_file_test.cpp -) + LIBS parameter base device + SOURCES read_exit_file_test.cpp) -add_test(NAME MODULE_IO_read_exit_file_test_para_4 - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_IO_read_exit_file_test_para_4 + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( +addtest( TARGET MODULE_IO_output_test - LIBS parameter base device - SOURCES output_test.cpp -) + LIBS parameter base device + SOURCES output_test.cpp) -AddTest( +addtest( TARGET MODULE_IO_td_efield_io_test LIBS parameter base device - SOURCES td_efield_io_test.cpp ../module_efield/td_efield_io.cpp - ../../source_estate/module_pot/td_field.cpp ../../source_estate/module_pot/td_field_profiles.cpp - ../../source_estate/module_pot/td_field_manager.cpp -) + SOURCES td_efield_io_test.cpp + ../module_efield/td_efield_io.cpp + ../../source_estate/module_pot/td_field.cpp + ../../source_estate/module_pot/td_field_profiles.cpp + ../../source_estate/module_pot/td_field_manager.cpp) -AddTest( +addtest( TARGET MODULE_IO_td_vector_pot_io_test LIBS parameter base device - SOURCES td_vector_pot_io_test.cpp ../module_efield/td_vector_pot_io.cpp -) + SOURCES td_vector_pot_io_test.cpp ../module_efield/td_vector_pot_io.cpp) -AddTest( +addtest( TARGET MODULE_IO_write_eig_occ_test - LIBS parameter base device symmetry - SOURCES write_eig_occ_test.cpp ../module_energy/write_eig_occ.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp - ../../source_cell/cif_io.cpp ../../source_cell/reciprocal_grid.cpp -) + LIBS parameter base device symmetry + SOURCES write_eig_occ_test.cpp + ../module_energy/write_eig_occ.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/cif_io.cpp + ../../source_cell/reciprocal_grid.cpp) # DOS tests moved to ../module_dos/unittests/ -AddTest( +addtest( TARGET MODULE_IO_print_info - LIBS parameter base device symmetry cell_info - SOURCES print_info_test.cpp ../module_output/print_info.cpp ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/reciprocal_grid.cpp -) - -AddTest( + LIBS parameter base device symmetry cell_info + SOURCES print_info_test.cpp + ../module_output/print_info.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/reciprocal_grid.cpp) + +addtest( TARGET MODULE_IO_write_wfc_nao - LIBS parameter base psi device - SOURCES write_wfc_nao_test.cpp ../module_wf/write_wfc_nao.cpp ../../source_basis/module_ao/parallel_orbitals.cpp -) + LIBS parameter base psi device + SOURCES write_wfc_nao_test.cpp ../module_wf/write_wfc_nao.cpp + ../../source_basis/module_ao/parallel_orbitals.cpp) abacus_copy_test_files(write_wfc_nao_para.sh) find_program(BASH bash) -add_test(NAME MODULE_IO_write_wfc_nao_para - COMMAND ${BASH} write_wfc_nao_para.sh "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_IO_write_wfc_nao_para + COMMAND ${BASH} write_wfc_nao_para.sh "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( +addtest( TARGET MODULE_IO_write_orb_info - LIBS parameter base device cell_info - SOURCES write_orb_info_test.cpp ../module_output/write_orb_info.cpp -) + LIBS parameter base device cell_info + SOURCES write_orb_info_test.cpp ../module_output/write_orb_info.cpp) -AddTest( +addtest( TARGET MODULE_IO_parse_args - LIBS parameter base device io_input - SOURCES parse_args_test.cpp ../parse_args.cpp ../input_help.cpp -) + LIBS parameter base device io_input + SOURCES parse_args_test.cpp ../parse_args.cpp ../input_help.cpp) -AddTest( +addtest( TARGET MODULE_IO_input_help_test - LIBS parameter base device io_input - SOURCES input_help_test.cpp ../input_help.cpp -) + LIBS parameter base device io_input + SOURCES input_help_test.cpp ../input_help.cpp) -AddTest( +addtest( TARGET MODULE_IO_bessel_basis_test - LIBS parameter base device - SOURCES bessel_basis_test.cpp ../module_bessel/bessel_basis.cpp -) + LIBS parameter base device + SOURCES bessel_basis_test.cpp ../module_bessel/bessel_basis.cpp) -AddTest( +addtest( TARGET MODULE_IO_output_log_test LIBS parameter base device - SOURCES ../module_output/output_log.cpp outputlog_test.cpp ../../source_basis/module_pw/test/test_tool.cpp -) + SOURCES ../module_output/output_log.cpp outputlog_test.cpp + ../../source_basis/module_pw/test/test_tool.cpp) if(ENABLE_LCAO) -AddTest( - TARGET MODULE_IO_to_qo_test - LIBS parameter base device numerical_atomic_orbitals nao_smoothgen container orb - SOURCES - to_qo_test.cpp - ../module_qo/to_qo_kernel.cpp - ../module_qo/to_qo_mpi.cpp - ../module_qo/to_qo_structures.cpp - ../../source_cell/atom_spec.cpp - ../../source_cell/parallel_kpoints.cpp - ../../source_cell/test/support/mock_unitcell.cpp - ../../source_lcao/center2orb.cpp -) + addtest( + TARGET MODULE_IO_to_qo_test + LIBS parameter + base + device + numerical_atomic_orbitals + nao_smoothgen + container + orb + SOURCES to_qo_test.cpp + ../module_qo/to_qo_kernel.cpp + ../module_qo/to_qo_mpi.cpp + ../module_qo/to_qo_structures.cpp + ../../source_cell/atom_spec.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/test/support/mock_unitcell.cpp + ../../source_lcao/center2orb.cpp) endif() -AddTest( +addtest( TARGET MODULE_IO_read_wfc_pw_test - LIBS parameter base device planewave - SOURCES read_wfc_pw_test.cpp ../module_wf/read_wfc_pw.cpp ../../source_basis/module_pw/test/test_tool.cpp -) + LIBS parameter base device planewave + SOURCES read_wfc_pw_test.cpp ../module_wf/read_wfc_pw.cpp + ../../source_basis/module_pw/test/test_tool.cpp) -add_test(NAME MODULE_IO_read_wfc_pw_test_parallel - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_IO_read_wfc_pw_test_parallel + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( +addtest( TARGET MODULE_IO_read_wf2rho_pw_test LIBS parameter base device planewave psi symmetry - SOURCES read_wf2rho_pw_test.cpp ../module_wf/read_wfc_pw.cpp ../module_wf/read_wf2rho_pw.cpp ../../source_basis/module_pw/test/test_tool.cpp ../../source_estate/module_charge/charge.cpp ../../source_estate/module_charge/chg_tools.cpp ../../source_estate/module_charge/chg_parallel.cpp ../module_wf/write_wfc_pw.cpp - ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/reciprocal_grid.cpp -) - -add_test(NAME MODULE_IO_read_wf2rho_pw_parallel - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) + SOURCES read_wf2rho_pw_test.cpp + ../module_wf/read_wfc_pw.cpp + ../module_wf/read_wf2rho_pw.cpp + ../../source_basis/module_pw/test/test_tool.cpp + ../../source_estate/module_charge/charge.cpp + ../../source_estate/module_charge/chg_tools.cpp + ../../source_estate/module_charge/chg_parallel.cpp + ../module_wf/write_wfc_pw.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/reciprocal_grid.cpp) +add_test( + NAME MODULE_IO_read_wf2rho_pw_parallel + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) if(ENABLE_LCAO) -AddTest( - TARGET MODULE_IO_numerical_basis_test - LIBS parameter base device numerical_atomic_orbitals nao_smoothgen container orb - SOURCES numerical_basis_test.cpp - ../module_bessel/numerical_basis_jyjy.cpp - ../../source_lcao/center2orb.cpp -) + addtest( + TARGET MODULE_IO_numerical_basis_test + LIBS parameter + base + device + numerical_atomic_orbitals + nao_smoothgen + container + orb + SOURCES numerical_basis_test.cpp ../module_bessel/numerical_basis_jyjy.cpp + ../../source_lcao/center2orb.cpp) endif() - -AddTest( +addtest( TARGET MODULE_IO_mulliken_test - LIBS parameter base device - SOURCES output_mulliken_test.cpp output_mulliken_mock.cpp ../module_mulliken/output_mulliken.cpp - ../../source_cell/cell_index.cpp - ../../source_basis/module_ao/parallel_orbitals.cpp -) + LIBS parameter base device + SOURCES output_mulliken_test.cpp + output_mulliken_mock.cpp + ../module_mulliken/output_mulliken.cpp + ../../source_cell/cell_index.cpp + ../../source_basis/module_ao/parallel_orbitals.cpp) #if(ENABLE_LCAO) #AddTest( @@ -204,65 +219,62 @@ AddTest( #endif() -AddTest( +addtest( TARGET MODULE_IO_orb_io_test LIBS parameter base device - SOURCES orb_io_test.cpp -) + SOURCES orb_io_test.cpp) -add_test(NAME MODULE_IO_orb_io_test_parallel - COMMAND mpirun -np 4 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) +add_test( + NAME MODULE_IO_orb_io_test_parallel + COMMAND mpirun -np 4 "$" + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) -AddTest( +addtest( TARGET MODULE_IO_write_dmk LIBS parameter base device cell_info symmetry - SOURCES ../module_dm/test/write_dmk_test.cpp ../module_dm/write_dmk.cpp ../../source_cell/ucell_io.cpp - ../../source_cell/klist.cpp ../../source_cell/klist_io.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/reciprocal_grid.cpp -) + SOURCES ../module_dm/test/write_dmk_test.cpp + ../module_dm/write_dmk.cpp + ../../source_cell/ucell_io.cpp + ../../source_cell/klist.cpp + ../../source_cell/klist_io.cpp + ../../source_cell/parallel_kpoints.cpp + ../../source_cell/reciprocal_grid.cpp) add_test( NAME MODULE_IO_write_dmk_parallel COMMAND mpirun -np 2 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) if(ENABLE_LCAO) -AddTest( - TARGET MODULE_IO_write_dmr_test - LIBS parameter base device hcontainer - SOURCES ../module_dm/test/test_write_dmr.cpp ../module_dm/write_dmr.cpp ../../source_cell/ucell_io.cpp - ../../source_basis/module_ao/parallel_orbitals.cpp ../../source_hamilt/module_hcontainer/test/tmp_mocks.cpp -) + addtest( + TARGET MODULE_IO_write_dmr_test + LIBS parameter base device hcontainer + SOURCES ../module_dm/test/test_write_dmr.cpp + ../module_dm/write_dmr.cpp + ../../source_cell/ucell_io.cpp + ../../source_basis/module_ao/parallel_orbitals.cpp + ../../source_hamilt/module_hcontainer/test/tmp_mocks.cpp) endif() -AddTest( +addtest( TARGET MODULE_IO_read_wfc_nao_test LIBS parameter base device - SOURCES read_wfc_nao_test.cpp ../module_wf/read_wfc_nao.cpp ../module_wf/write_wfc_nao.cpp ../../source_psi/psi.cpp ../../source_basis/module_ao/parallel_orbitals.cpp -) + SOURCES read_wfc_nao_test.cpp ../module_wf/read_wfc_nao.cpp + ../module_wf/write_wfc_nao.cpp ../../source_psi/psi.cpp + ../../source_basis/module_ao/parallel_orbitals.cpp) add_test( NAME MODULE_IO_read_wfc_nao_test_parallel COMMAND mpirun -np 2 "$" - WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} -) + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) if(ENABLE_LIBRI) -AddTest( - TARGET MODULE_IO_restart_exx_csr_test - LIBS parameter base device - SOURCES - restart_exx_csr_test.cpp - ../module_restart/restart_exx_csr.cpp - ../module_hs/hs_sparse_io.cpp - ../module_hs/lat_r_csr.cpp - tmp_mocks.cpp -) + addtest( + TARGET MODULE_IO_restart_exx_csr_test + LIBS parameter base device + SOURCES restart_exx_csr_test.cpp ../module_restart/restart_exx_csr.cpp + ../module_hs/hs_sparse_io.cpp ../module_hs/lat_r_csr.cpp + tmp_mocks.cpp) endif() -AddTest( - TARGET MODULE_IO_write_elf_logic_test - SOURCES write_elf_logic_test.cpp -) +addtest(TARGET MODULE_IO_write_elf_logic_test SOURCES write_elf_logic_test.cpp) diff --git a/source/source_io/test_serial/CMakeLists.txt b/source/source_io/test_serial/CMakeLists.txt index 03226d0b02e..4cc6ed92925 100644 --- a/source/source_io/test_serial/CMakeLists.txt +++ b/source/source_io/test_serial/CMakeLists.txt @@ -4,73 +4,62 @@ abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__MPI) add_library( - io_input_serial - OBJECT - ../module_parameter/read_inp_sys.cpp - ../module_parameter/read_inp_estruc.cpp - ../module_parameter/read_inp_relax.cpp - ../module_parameter/read_input_item_md.cpp - ../module_parameter/read_inp_ofdft.cpp - ../module_parameter/read_input_item_sdft.cpp - ../module_parameter/read_inp_tddft.cpp - ../module_parameter/read_inp_bse.cpp - ../module_parameter/read_inp_dfpt.cpp - ../module_parameter/read_inp_deepks.cpp - ../module_parameter/read_inp_model.cpp - ../module_parameter/read_inp_sccs.cpp - ../module_parameter/read_inp_postproc.cpp - ../module_parameter/read_inp_exx_dftu.cpp - ../module_parameter/read_inp_other.cpp - ../module_parameter/read_inp_out.cpp - ../module_parameter/read_input.cpp - ../module_parameter/read_set_globalv.cpp - ../module_parameter/availability.cpp - ../module_parameter/availability_validator.cpp - ../module_parameter/input_domain.cpp -) + io_input_serial OBJECT + ../module_parameter/read_inp_sys.cpp + ../module_parameter/read_inp_estruc.cpp + ../module_parameter/read_inp_relax.cpp + ../module_parameter/read_input_item_md.cpp + ../module_parameter/read_inp_ofdft.cpp + ../module_parameter/read_input_item_sdft.cpp + ../module_parameter/read_inp_tddft.cpp + ../module_parameter/read_inp_bse.cpp + ../module_parameter/read_inp_dfpt.cpp + ../module_parameter/read_inp_deepks.cpp + ../module_parameter/read_inp_model.cpp + ../module_parameter/read_inp_sccs.cpp + ../module_parameter/read_inp_postproc.cpp + ../module_parameter/read_inp_exx_dftu.cpp + ../module_parameter/read_inp_other.cpp + ../module_parameter/read_inp_out.cpp + ../module_parameter/read_input.cpp + ../module_parameter/read_set_globalv.cpp + ../module_parameter/availability.cpp + ../module_parameter/availability_validator.cpp + ../module_parameter/input_domain.cpp) abacus_copy_test_files(support) -AddTest( +addtest( TARGET MODULE_IO_read_input_serial LIBS parameter io_input_serial - SOURCES read_input_test.cpp - ../../source_base/test/tool_quit_no_exit.cpp + SOURCES read_input_test.cpp ../../source_base/test/tool_quit_no_exit.cpp ../../source_base/module_device/device.cpp - ../../source_base/module_device/output_device.cpp -) + ../../source_base/module_device/output_device.cpp) -AddTest( +addtest( TARGET MODULE_IO_read_item_serial LIBS parameter base device io_input_serial - SOURCES read_input_item_test.cpp test_read_inp_sccs.cpp -) + SOURCES read_input_item_test.cpp test_read_inp_sccs.cpp) -AddTest( +addtest( TARGET MODULE_IO_input_domain_reader LIBS parameter base device io_input_serial - SOURCES test_read_input.cpp ../input_help.cpp -) + SOURCES test_read_input.cpp ../input_help.cpp) -AddTest( - TARGET MODULE_IO_read_input_tool - SOURCES read_input_tool_test.cpp -) +addtest(TARGET MODULE_IO_read_input_tool SOURCES read_input_tool_test.cpp) -AddTest( +addtest( TARGET MODULE_IO_rho_io LIBS parameter base device cell_info - SOURCES rho_io_test.cpp ../module_output/read_cube.cpp ../module_output/write_cube.cpp -) + SOURCES rho_io_test.cpp ../module_output/read_cube.cpp + ../module_output/write_cube.cpp) -AddTest( +addtest( TARGET MODULE_IO_read_cube LIBS parameter base device cell_info - SOURCES test_read_cube.cpp ../module_output/read_cube.cpp -) + SOURCES test_read_cube.cpp ../module_output/read_cube.cpp) -AddTest( +addtest( TARGET MODULE_IO_system_variable_test LIBS parameter base device io_input_serial - SOURCES io_sys_var_test.cpp -) + SOURCES io_sys_var_test.cpp) diff --git a/source/source_lcao/module_bse/test/CMakeLists.txt b/source/source_lcao/module_bse/test/CMakeLists.txt index fed9622d87a..d85ce5c9ded 100644 --- a/source/source_lcao/module_bse/test/CMakeLists.txt +++ b/source/source_lcao/module_bse/test/CMakeLists.txt @@ -5,10 +5,6 @@ if(ENABLE_ELPA) endif() addtest( - TARGET - MODULE_BSE_solver_test - LIBS - ${bse_solver_test_libs} - SOURCES - hamilt_bse_solver_test.cpp - ../hamilt_bse_solver.cpp) + TARGET MODULE_BSE_solver_test + LIBS ${bse_solver_test_libs} + SOURCES hamilt_bse_solver_test.cpp ../hamilt_bse_solver.cpp) diff --git a/source/source_lcao/module_deepks/test/CMakeLists.txt b/source/source_lcao/module_deepks/test/CMakeLists.txt index 0602f8ac755..bbc6b1f72fd 100644 --- a/source/source_lcao/module_deepks/test/CMakeLists.txt +++ b/source/source_lcao/module_deepks/test/CMakeLists.txt @@ -146,326 +146,206 @@ function(configure_deepks_unit_target TARGET_NAME CHECK_NAME CASE_DIR) endfunction() addtest( - TARGET - MODULE_LCAO_DEEPKS_phialpha_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_PHIALPHA_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_phialpha_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_PHIALPHA_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_phialpha_gamma phialpha NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_phialpha_grid_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_PHIALPHA_GRID_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_phialpha_grid_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_PHIALPHA_GRID_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_phialpha_grid_gamma phialpha_grid_zero_field NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_pdm_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_PDM_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_pdm_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_PDM_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_pdm_gamma pdm NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_descriptor_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_DESCRIPTOR_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_descriptor_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_DESCRIPTOR_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_descriptor_gamma descriptor NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_gdmx_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_GDMX_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_gdmx_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_GDMX_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_gdmx_gamma gdmx NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_gvx_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_GVX_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_gvx_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_GVX_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_gvx_gamma gvx NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_gdmepsl_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_GDMEPSL_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_gdmepsl_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_GDMEPSL_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_gdmepsl_gamma gdmepsl NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_gvepsl_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_GVEPSL_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_gvepsl_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_GVEPSL_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_gvepsl_gamma gvepsl NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_orbpre_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_ORBPRE_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_orbpre_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_ORBPRE_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_orbpre_gamma orbpre NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_vdpre_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_VDPRE_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_vdpre_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_VDPRE_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_vdpre_gamma vdpre NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_vdrpre_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_VDRPRE_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_vdrpre_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_VDRPRE_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_vdrpre_gamma vdrpre NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_edelta_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_EDELTA_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_edelta_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_EDELTA_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_edelta_gamma edelta NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_e_deltabands_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_E_DELTABANDS_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_e_deltabands_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_E_DELTABANDS_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_e_deltabands_gamma e_deltabands NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_force_stress_delta_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_FORCE_STRESS_DELTA_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_force_stress_delta_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_FORCE_STRESS_DELTA_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_force_stress_delta_gamma force_stress_delta NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_o_delta_gamma - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_O_DELTA_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_o_delta_gamma + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_O_DELTA_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_o_delta_gamma o_delta NO_GO_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_phialpha_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_PHIALPHA_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_phialpha_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_PHIALPHA_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_phialpha_multik phialpha NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_phialpha_grid_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_PHIALPHA_GRID_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_phialpha_grid_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_PHIALPHA_GRID_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_phialpha_grid_multik phialpha_grid_zero_field NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_pdm_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_PDM_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_pdm_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_PDM_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_pdm_multik pdm NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_descriptor_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_DESCRIPTOR_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_descriptor_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_DESCRIPTOR_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_descriptor_multik descriptor NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_gdmx_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_GDMX_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_gdmx_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_GDMX_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_gdmx_multik gdmx NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_gvx_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_GVX_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_gvx_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_GVX_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_gvx_multik gvx NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_gdmepsl_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_GDMEPSL_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_gdmepsl_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_GDMEPSL_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_gdmepsl_multik gdmepsl NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_gvepsl_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_GVEPSL_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_gvepsl_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_GVEPSL_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_gvepsl_multik gvepsl NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_orbpre_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_ORBPRE_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_orbpre_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_ORBPRE_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_orbpre_multik orbpre NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_vdpre_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_VDPRE_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_vdpre_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_VDPRE_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_vdpre_multik vdpre NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_vdrpre_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_VDRPRE_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_vdrpre_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_VDRPRE_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_vdrpre_multik vdrpre NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_edelta_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_EDELTA_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_edelta_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_EDELTA_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_edelta_multik edelta NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_e_deltabands_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_E_DELTABANDS_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_e_deltabands_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_E_DELTABANDS_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_e_deltabands_multik e_deltabands NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_force_stress_delta_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_FORCE_STRESS_DELTA_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_force_stress_delta_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_FORCE_STRESS_DELTA_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_force_stress_delta_multik force_stress_delta NO_KP_deepks_UT) addtest( - TARGET - MODULE_LCAO_DEEPKS_o_delta_multik - LIBS - ${DEEPKS_UNIT_LIBS} - SOURCES - main_deepks.cpp - ${DEEPKS_UNIT_O_DELTA_SOURCES}) + TARGET MODULE_LCAO_DEEPKS_o_delta_multik + LIBS ${DEEPKS_UNIT_LIBS} + SOURCES main_deepks.cpp ${DEEPKS_UNIT_O_DELTA_SOURCES}) configure_deepks_unit_target(MODULE_LCAO_DEEPKS_o_delta_multik o_delta NO_KP_deepks_UT) diff --git a/source/source_lcao/module_deltaspin/test/CMakeLists.txt b/source/source_lcao/module_deltaspin/test/CMakeLists.txt index 2e792c343ca..5658dc57757 100644 --- a/source/source_lcao/module_deltaspin/test/CMakeLists.txt +++ b/source/source_lcao/module_deltaspin/test/CMakeLists.txt @@ -3,102 +3,63 @@ abacus_disable_feature_definitions(__CUDA) if(ENABLE_LCAO) addtest( - TARGET - MODULE_LCAO_deltaspin_basic_func_test - LIBS - base - device - parameter - SOURCES - basic_test.cpp - ../basic_funcs.cpp) + TARGET MODULE_LCAO_deltaspin_basic_func_test + LIBS base device parameter + SOURCES basic_test.cpp ../basic_funcs.cpp) addtest( - TARGET - MODULE_LCAO_deltaspin_spin_constrain_test - LIBS - base - device - parameter - symmetry - SOURCES - spin_constrain_test.cpp - ../spin_constrain.cpp - ../deltaspin_state.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_cell/klist.cpp - ../../../source_cell/klist_io.cpp - ../../../source_cell/parallel_kpoints.cpp - ../../../source_cell/reciprocal_grid.cpp) + TARGET MODULE_LCAO_deltaspin_spin_constrain_test + LIBS base device parameter symmetry + SOURCES spin_constrain_test.cpp + ../spin_constrain.cpp + ../deltaspin_state.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_cell/klist.cpp + ../../../source_cell/klist_io.cpp + ../../../source_cell/parallel_kpoints.cpp + ../../../source_cell/reciprocal_grid.cpp) addtest( - TARGET - MODULE_LCAO_deltaspin_template_helpers - LIBS - base - device - parameter - symmetry - SOURCES - template_helpers_test.cpp - ../spin_constrain.cpp - ../deltaspin_state.cpp - ../template_helpers.cpp - ../lambda_loop_helper.cpp - ../basic_funcs.cpp - ../../../source_cell/klist.cpp - ../../../source_cell/klist_io.cpp - ../../../source_cell/parallel_kpoints.cpp - ../../../source_cell/reciprocal_grid.cpp) + TARGET MODULE_LCAO_deltaspin_template_helpers + LIBS base device parameter symmetry + SOURCES template_helpers_test.cpp + ../spin_constrain.cpp + ../deltaspin_state.cpp + ../template_helpers.cpp + ../lambda_loop_helper.cpp + ../basic_funcs.cpp + ../../../source_cell/klist.cpp + ../../../source_cell/klist_io.cpp + ../../../source_cell/parallel_kpoints.cpp + ../../../source_cell/reciprocal_grid.cpp) addtest( - TARGET - deltaspin_pw_test - LIBS - base - device - parameter - SOURCES - deltaspin_pw_test.cpp) + TARGET deltaspin_pw_test + LIBS base device parameter + SOURCES deltaspin_pw_test.cpp) addtest( - TARGET - deltaspin_core_test - LIBS - base - device - SOURCES - deltaspin_core_test.cpp - ../mi_tools.cpp - ../../../source_estate/occ_comput.cpp) + TARGET deltaspin_core_test + LIBS base device + SOURCES deltaspin_core_test.cpp ../mi_tools.cpp + ../../../source_estate/occ_comput.cpp) addtest( - TARGET - test_lambda_loop_helper - LIBS - base - device - parameter - symmetry - SOURCES - test_lambda_loop_helper.cpp - ../spin_constrain.cpp - ../deltaspin_state.cpp - ../lambda_loop_helper.cpp - ../basic_funcs.cpp - ../../../source_cell/klist.cpp - ../../../source_cell/klist_io.cpp - ../../../source_cell/parallel_kpoints.cpp - ../../../source_cell/reciprocal_grid.cpp) + TARGET test_lambda_loop_helper + LIBS base device parameter symmetry + SOURCES test_lambda_loop_helper.cpp + ../spin_constrain.cpp + ../deltaspin_state.cpp + ../lambda_loop_helper.cpp + ../basic_funcs.cpp + ../../../source_cell/klist.cpp + ../../../source_cell/klist_io.cpp + ../../../source_cell/parallel_kpoints.cpp + ../../../source_cell/reciprocal_grid.cpp) addtest( - TARGET - MODULE_LCAO_deltaspin_state_test - LIBS - base - device - SOURCES - test_deltaspin_state.cpp - ../deltaspin_state.cpp) + TARGET MODULE_LCAO_deltaspin_state_test + LIBS base device + SOURCES test_deltaspin_state.cpp ../deltaspin_state.cpp) endif() diff --git a/source/source_lcao/module_dftu/unittests/CMakeLists.txt b/source/source_lcao/module_dftu/unittests/CMakeLists.txt index 437043ef604..e39fa58fa73 100644 --- a/source/source_lcao/module_dftu/unittests/CMakeLists.txt +++ b/source/source_lcao/module_dftu/unittests/CMakeLists.txt @@ -10,226 +10,165 @@ abacus_disable_feature_definitions(_OPENMP) if(ENABLE_MPI) addtest( - TARGET - MODULE_DFTU_pots - LIBS - base - device - SOURCES - test_dftu_nao_pots.cpp) + TARGET MODULE_DFTU_pots + LIBS base device + SOURCES test_dftu_nao_pots.cpp) addtest( - TARGET - MODULE_DFTU_energy - LIBS - base - device - SOURCES - test_dftu_nao_energy.cpp) + TARGET MODULE_DFTU_energy + LIBS base device + SOURCES test_dftu_nao_energy.cpp) addtest( - TARGET - MODULE_DFTU_op_legacy - LIBS - base - device - SOURCES - test_dftu_nao_op_legacy.cpp) + TARGET MODULE_DFTU_op_legacy + LIBS base device + SOURCES test_dftu_nao_op_legacy.cpp) addtest( - TARGET - MODULE_DFTU_for_r - LIBS - base - device - SOURCES - test_dftu_nao_for_r.cpp) + TARGET MODULE_DFTU_for_r + LIBS base device + SOURCES test_dftu_nao_for_r.cpp) addtest( - TARGET - MODULE_DFTU_str_r - LIBS - base - device - SOURCES - test_dftu_nao_str_r.cpp) + TARGET MODULE_DFTU_str_r + LIBS base device + SOURCES test_dftu_nao_str_r.cpp) addtest( - TARGET - MODULE_DFTU_folding - LIBS - base - device + TARGET MODULE_DFTU_folding + LIBS base device SOURCES - test_dftu_nao_folding.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - # The test instantiates Parallel_Orbitals (a Parallel_2D subclass) and links - # the MPI-built base library, so it must keep __MPI to match the layout of - # Parallel_2D / Parallel_Orbitals across TUs (otherwise ODR/ABI mismatch). - KEEP_FEATURE_DEFINITIONS - __MPI) + test_dftu_nao_folding.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + # The test instantiates Parallel_Orbitals (a Parallel_2D subclass) and links + # the MPI-built base library, so it must keep __MPI to match the layout of + # Parallel_2D / Parallel_Orbitals across TUs (otherwise ODR/ABI mismatch). + KEEP_FEATURE_DEFINITIONS + __MPI) addtest( - TARGET - MODULE_DFTU_fs_r - LIBS - base - device - SOURCES - test_dftu_nao_fs_r.cpp - ../dftu_nao_fs_reduce.cpp) + TARGET MODULE_DFTU_fs_r + LIBS base device + SOURCES test_dftu_nao_fs_r.cpp ../dftu_nao_fs_reduce.cpp) addtest( - TARGET - MODULE_DFTU_fs_reduce - LIBS - base - device - SOURCES - test_dftu_nao_fs_reduce.cpp - ../dftu_nao_fs_reduce.cpp) + TARGET MODULE_DFTU_fs_reduce + LIBS base device + SOURCES test_dftu_nao_fs_reduce.cpp ../dftu_nao_fs_reduce.cpp) addtest( - TARGET - MODULE_DFTU_fs_k - LIBS - base - device - SOURCES - test_dftu_nao_fs_k.cpp) + TARGET MODULE_DFTU_fs_k + LIBS base device + SOURCES test_dftu_nao_fs_k.cpp) addtest( - TARGET - MODULE_DFTU_fs_accum - LIBS - base - device + TARGET MODULE_DFTU_fs_accum + LIBS base device SOURCES - test_dftu_nao_fs_accum.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - # This test uses Parallel_2D::set_serial which is a real implementation - # in parallel_2d.cpp; keep __MPI so the serial path links correctly. - KEEP_FEATURE_DEFINITIONS - __MPI) - - if(ENABLE_LCAO) - addtest( - TARGET - MODULE_DFTU_op - LIBS - parameter - psi - base - device - container - symmetry - SOURCES - test_dftu_nao_op.cpp - ../dftu_nao_op.cpp - ../dftu_nao_adj.cpp - ../dftu_nao_pots.cpp - ../dftu_nao_fs_r.cpp - ../dftu_nao_fs_reduce.cpp - ../dftu_nao_for_r.cpp - ../dftu_nao_str_r.cpp - ../../../source_estate/module_dm/density_matrix.cpp - ../../../source_estate/module_dm/dmr_gamma.cpp - ../../../source_estate/module_dm/dmr_init.cpp - ../../../source_estate/module_dm/dm_setter.cpp - ../../../source_estate/module_dm/dm_getter.cpp - ../../../source_estate/module_dm/dm_tools.cpp - ../../../source_estate/module_dm/dmr_k.cpp - ../../../source_estate/module_dm/dmr_td.cpp - ../../../source_estate/module_dm/dmr_full.cpp - ../../../source_pw/module_pwdft/dftu_base.cpp - ../../../source_pw/module_pwdft/dftu_base_io.cpp - ../../../source_pw/module_pwdft/dftu_base_io_read.cpp - ../../../source_pw/module_pwdft/dftu_base_io_write.cpp - ../../../source_pw/module_pwdft/yukawa_screening.cpp - ../../../source_estate/occ_matrix.cpp - ../../../source_estate/occ_mixer.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp + test_dftu_nao_fs_accum.cpp ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - ../../module_operator_lcao/test/tmp_mocks.cpp - ../../../source_hamilt/operator.cpp - # This test calls MPI_Init in main() and drives ScaLAPACK distribution, - # so it must keep __MPI even though this directory disables it. + # This test uses Parallel_2D::set_serial which is a real implementation + # in parallel_2d.cpp; keep __MPI so the serial path links correctly. KEEP_FEATURE_DEFINITIONS __MPI) + if(ENABLE_LCAO) addtest( - TARGET - MODULE_DFTU_ijr - LIBS - parameter - psi - base - device - container + TARGET MODULE_DFTU_op + LIBS parameter psi base device container symmetry SOURCES - test_dftu_nao_ijr.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - ../../module_operator_lcao/test/tmp_mocks.cpp - ../../../source_hamilt/operator.cpp - KEEP_FEATURE_DEFINITIONS - __MPI) + test_dftu_nao_op.cpp + ../dftu_nao_op.cpp + ../dftu_nao_adj.cpp + ../dftu_nao_pots.cpp + ../dftu_nao_fs_r.cpp + ../dftu_nao_fs_reduce.cpp + ../dftu_nao_for_r.cpp + ../dftu_nao_str_r.cpp + ../../../source_estate/module_dm/density_matrix.cpp + ../../../source_estate/module_dm/dmr_gamma.cpp + ../../../source_estate/module_dm/dmr_init.cpp + ../../../source_estate/module_dm/dm_setter.cpp + ../../../source_estate/module_dm/dm_getter.cpp + ../../../source_estate/module_dm/dm_tools.cpp + ../../../source_estate/module_dm/dmr_k.cpp + ../../../source_estate/module_dm/dmr_td.cpp + ../../../source_estate/module_dm/dmr_full.cpp + ../../../source_pw/module_pwdft/dftu_base.cpp + ../../../source_pw/module_pwdft/dftu_base_io.cpp + ../../../source_pw/module_pwdft/dftu_base_io_read.cpp + ../../../source_pw/module_pwdft/dftu_base_io_write.cpp + ../../../source_pw/module_pwdft/yukawa_screening.cpp + ../../../source_estate/occ_matrix.cpp + ../../../source_estate/occ_mixer.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + ../../module_operator_lcao/test/tmp_mocks.cpp + ../../../source_hamilt/operator.cpp + # This test calls MPI_Init in main() and drives ScaLAPACK distribution, + # so it must keep __MPI even though this directory disables it. + KEEP_FEATURE_DEFINITIONS + __MPI) + + addtest( + TARGET MODULE_DFTU_ijr + LIBS parameter psi base device container + SOURCES test_dftu_nao_ijr.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + ../../module_operator_lcao/test/tmp_mocks.cpp + ../../../source_hamilt/operator.cpp + KEEP_FEATURE_DEFINITIONS + __MPI) addtest( - TARGET - MODULE_DFTU_base_io - LIBS - parameter - psi - base - device - container - symmetry + TARGET MODULE_DFTU_base_io + LIBS parameter psi base device container symmetry SOURCES - test_dftu_base_io.cpp - ../dftu_nao_op.cpp - ../dftu_nao_adj.cpp - ../dftu_nao_pots.cpp - ../dftu_nao_fs_r.cpp - ../dftu_nao_fs_reduce.cpp - ../dftu_nao_for_r.cpp - ../dftu_nao_str_r.cpp - ../../../source_estate/module_dm/density_matrix.cpp - ../../../source_estate/module_dm/dmr_gamma.cpp - ../../../source_estate/module_dm/dmr_init.cpp - ../../../source_estate/module_dm/dm_setter.cpp - ../../../source_estate/module_dm/dm_getter.cpp - ../../../source_estate/module_dm/dm_tools.cpp - ../../../source_estate/module_dm/dmr_k.cpp - ../../../source_estate/module_dm/dmr_td.cpp - ../../../source_estate/module_dm/dmr_full.cpp - ../../../source_pw/module_pwdft/dftu_base.cpp - ../../../source_pw/module_pwdft/dftu_base_io.cpp - ../../../source_pw/module_pwdft/dftu_base_io_read.cpp - ../../../source_pw/module_pwdft/dftu_base_io_write.cpp - ../../../source_pw/module_pwdft/yukawa_screening.cpp - ../../../source_estate/occ_matrix.cpp - ../../../source_estate/occ_mixer.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - ../../module_operator_lcao/test/tmp_mocks.cpp - ../../../source_hamilt/operator.cpp - # Reuse the proven MODULE_DFTU_op link closure; MPI-built base/parallel - # objects must see __MPI across TUs. - KEEP_FEATURE_DEFINITIONS - __MPI) + test_dftu_base_io.cpp + ../dftu_nao_op.cpp + ../dftu_nao_adj.cpp + ../dftu_nao_pots.cpp + ../dftu_nao_fs_r.cpp + ../dftu_nao_fs_reduce.cpp + ../dftu_nao_for_r.cpp + ../dftu_nao_str_r.cpp + ../../../source_estate/module_dm/density_matrix.cpp + ../../../source_estate/module_dm/dmr_gamma.cpp + ../../../source_estate/module_dm/dmr_init.cpp + ../../../source_estate/module_dm/dm_setter.cpp + ../../../source_estate/module_dm/dm_getter.cpp + ../../../source_estate/module_dm/dm_tools.cpp + ../../../source_estate/module_dm/dmr_k.cpp + ../../../source_estate/module_dm/dmr_td.cpp + ../../../source_estate/module_dm/dmr_full.cpp + ../../../source_pw/module_pwdft/dftu_base.cpp + ../../../source_pw/module_pwdft/dftu_base_io.cpp + ../../../source_pw/module_pwdft/dftu_base_io_read.cpp + ../../../source_pw/module_pwdft/dftu_base_io_write.cpp + ../../../source_pw/module_pwdft/yukawa_screening.cpp + ../../../source_estate/occ_matrix.cpp + ../../../source_estate/occ_mixer.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + ../../module_operator_lcao/test/tmp_mocks.cpp + ../../../source_hamilt/operator.cpp + # Reuse the proven MODULE_DFTU_op link closure; MPI-built base/parallel + # objects must see __MPI across TUs. + KEEP_FEATURE_DEFINITIONS + __MPI) endif() endif() diff --git a/source/source_lcao/module_lr/ao_to_mo_transformer/test/CMakeLists.txt b/source/source_lcao/module_lr/ao_to_mo_transformer/test/CMakeLists.txt index f06eb9637bf..4803c81fbbe 100644 --- a/source/source_lcao/module_lr/ao_to_mo_transformer/test/CMakeLists.txt +++ b/source/source_lcao/module_lr/ao_to_mo_transformer/test/CMakeLists.txt @@ -3,57 +3,30 @@ if(ENABLE_MPI) endif() abacus_disable_feature_definitions(__LIBXC) addtest( - TARGET - MODULE_LR_ao_to_mo_test - LIBS - parameter - base - container - device - psi - SOURCES - ao_to_mo_test.cpp - ../../utils/lr_util.cpp - ../ao_to_mo_parallel.cpp - ../ao_to_mo_serial.cpp) + TARGET MODULE_LR_ao_to_mo_test + LIBS parameter base container device psi + SOURCES ao_to_mo_test.cpp ../../utils/lr_util.cpp ../ao_to_mo_parallel.cpp + ../ao_to_mo_serial.cpp) addtest( - TARGET - MODULE_LR_CVCX_test - LIBS - base - parameter - ${math_libs} - container - device - psi - SOURCES - test_cvcx.cpp - ${test_cvcx_main} - ../../utils/lr_util.cpp - ../cvcx_par.cpp - ../cvcx_serial.cpp) + TARGET MODULE_LR_CVCX_test + LIBS base parameter ${math_libs} container device psi + SOURCES test_cvcx.cpp ${test_cvcx_main} ../../utils/lr_util.cpp + ../cvcx_par.cpp ../cvcx_serial.cpp) if(ENABLE_MPI) addtest( - TARGET - MODULE_LR_empty_blocks - LIBS - parameter - base - container - device - psi - SOURCES - test_ao_to_mo_parallel.cpp - ${test_cvcx_main} - ../../utils/lr_util.cpp - ../ao_to_mo_parallel.cpp - ../cvcx_par.cpp - ../cvcx_serial.cpp - ../../dm_trans/dm_trans_parallel.cpp - ../../dm_trans/dm_trans_serial.cpp - ../../dm_trans/dm_diff_par.cpp - ../../dm_trans/dm_diff_ser.cpp) + TARGET MODULE_LR_empty_blocks + LIBS parameter base container device psi + SOURCES test_ao_to_mo_parallel.cpp + ${test_cvcx_main} + ../../utils/lr_util.cpp + ../ao_to_mo_parallel.cpp + ../cvcx_par.cpp + ../cvcx_serial.cpp + ../../dm_trans/dm_trans_parallel.cpp + ../../dm_trans/dm_trans_serial.cpp + ../../dm_trans/dm_diff_par.cpp + ../../dm_trans/dm_diff_ser.cpp) add_test(NAME MODULE_LR_empty_blocks_mpi COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 4 $) diff --git a/source/source_lcao/module_lr/dm_trans/test/CMakeLists.txt b/source/source_lcao/module_lr/dm_trans/test/CMakeLists.txt index 693a9886c64..a83b8266cea 100644 --- a/source/source_lcao/module_lr/dm_trans/test/CMakeLists.txt +++ b/source/source_lcao/module_lr/dm_trans/test/CMakeLists.txt @@ -3,42 +3,24 @@ if(ENABLE_MPI) endif() abacus_disable_feature_definitions(__LIBXC) addtest( - TARGET - MODULE_LR_dm_trans_test - LIBS - parameter - psi - base - device - container - SOURCES - dm_trans_test.cpp - ../../utils/lr_util.cpp - ../dm_trans_parallel.cpp - ../dm_trans_serial.cpp - # ../../../source_base/module_container/ATen/core/tensor.cpp - # ../../../source_base/module_container/ATen/core/tensor_shape.cpp - # ../../../source_base/module_container/ATen/core/tensor_buffer.cpp - # ../../../source_base/module_container/ATen/core/tensor_map.cpp - # ../../../source_base/module_container/ATen/core/tensor_types.cpp - # ../../../source_base/module_container/base/core/cpu_allocator.cpp - # ../../../source_base/module_container/base/core/refcount.cpp - # ../../../source_base/module_container/ATen/kernels/memory_impl.cpp + TARGET MODULE_LR_dm_trans_test + LIBS parameter psi base device container + SOURCES dm_trans_test.cpp + ../../utils/lr_util.cpp + ../dm_trans_parallel.cpp + ../dm_trans_serial.cpp + # ../../../source_base/module_container/ATen/core/tensor.cpp + # ../../../source_base/module_container/ATen/core/tensor_shape.cpp + # ../../../source_base/module_container/ATen/core/tensor_buffer.cpp + # ../../../source_base/module_container/ATen/core/tensor_map.cpp + # ../../../source_base/module_container/ATen/core/tensor_types.cpp + # ../../../source_base/module_container/base/core/cpu_allocator.cpp + # ../../../source_base/module_container/base/core/refcount.cpp + # ../../../source_base/module_container/ATen/kernels/memory_impl.cpp ) addtest( - TARGET - MODULE_LR_dm_diff_test - LIBS - psi - base - parameter - ${math_libs} - device - container - SOURCES - test_dm_diff.cpp - ${test_dm_diff_main} - ../dm_diff_ser.cpp - ../dm_diff_par.cpp - ../../utils/lr_util.cpp) + TARGET MODULE_LR_dm_diff_test + LIBS psi base parameter ${math_libs} device container + SOURCES test_dm_diff.cpp ${test_dm_diff_main} ../dm_diff_ser.cpp + ../dm_diff_par.cpp ../../utils/lr_util.cpp) diff --git a/source/source_lcao/module_lr/ri_benchmark/test/CMakeLists.txt b/source/source_lcao/module_lr/ri_benchmark/test/CMakeLists.txt index 17ca3a9029b..c00ef0c3290 100644 --- a/source/source_lcao/module_lr/ri_benchmark/test/CMakeLists.txt +++ b/source/source_lcao/module_lr/ri_benchmark/test/CMakeLists.txt @@ -1,13 +1,6 @@ if(ENABLE_LIBRI) addtest( - TARGET - MODULE_LR_ri_benchmark_test - LIBS - psi - base - device - container - parameter - SOURCES - ri_benchmark_test.cpp) + TARGET MODULE_LR_ri_benchmark_test + LIBS psi base device container parameter + SOURCES ri_benchmark_test.cpp) endif() diff --git a/source/source_lcao/module_lr/test/CMakeLists.txt b/source/source_lcao/module_lr/test/CMakeLists.txt index a4b62d763db..3c019fe7df2 100644 --- a/source/source_lcao/module_lr/test/CMakeLists.txt +++ b/source/source_lcao/module_lr/test/CMakeLists.txt @@ -3,82 +3,46 @@ if(ENABLE_MPI) endif() if(ENABLE_LIBXC) addtest( - TARGET - MODULE_LR_pot_hxc_lrtd - LIBS - base - parameter - device - container - psi - Libxc::xc - SOURCES - test_pot_hxc_lrtd.cpp - ../potentials/pot_hxc_lrtd.cpp - ../kernel_pots.cpp - ../potentials/pot_grad_xc.cpp - ../potentials/xc_kernel.cpp - ../potentials/xc_kxc.cpp - ../utils/lr_util.cpp - ../../../source_hamilt/module_xc/xc_functional.cpp - ../../../source_hamilt/module_xc/libxc_setup.cpp) + TARGET MODULE_LR_pot_hxc_lrtd + LIBS base parameter device container psi Libxc::xc + SOURCES test_pot_hxc_lrtd.cpp + ../potentials/pot_hxc_lrtd.cpp + ../kernel_pots.cpp + ../potentials/pot_grad_xc.cpp + ../potentials/xc_kernel.cpp + ../potentials/xc_kxc.cpp + ../utils/lr_util.cpp + ../../../source_hamilt/module_xc/xc_functional.cpp + ../../../source_hamilt/module_xc/libxc_setup.cpp) addtest( - TARGET - MODULE_LR_xc_kxc - LIBS - Libxc::xc - SOURCES - test_xc_kxc.cpp - ../potentials/xc_kxc.cpp) + TARGET MODULE_LR_xc_kxc + LIBS Libxc::xc + SOURCES test_xc_kxc.cpp ../potentials/xc_kxc.cpp) endif() addtest( - TARGET - MODULE_LR_exx_projection - LIBS - base - parameter - ${math_libs} - container - device - SOURCES - test_exx_proj.cpp - ../exx_proj.cpp) + TARGET MODULE_LR_exx_projection + LIBS base parameter ${math_libs} container device + SOURCES test_exx_proj.cpp ../exx_proj.cpp) addtest( - TARGET - MODULE_LR_grad_degen - LIBS - base - parameter - ${math_libs} - container - device - SOURCES - test_grad_degen.cpp - test_grad_jt.cpp - ../grad_degen.cpp - ../grad_jt.cpp) + TARGET MODULE_LR_grad_degen + LIBS base parameter ${math_libs} container device + SOURCES test_grad_degen.cpp test_grad_jt.cpp ../grad_degen.cpp ../grad_jt.cpp) if(ENABLE_MPI) addtest( - TARGET - MODULE_LR_zeqlin_solv - LIBS - base - parameter - ${math_libs} - container - device - psi - MPI::MPI_CXX - SOURCES - test_zeqlin_solv.cpp - ${test_zeqlin_solv_main} - ../zeq_cg.cpp - ../zeqlin_solv.cpp - ../utils/lr_util.cpp) + TARGET MODULE_LR_zeqlin_solv + LIBS base + parameter + ${math_libs} + container + device + psi + MPI::MPI_CXX + SOURCES test_zeqlin_solv.cpp ${test_zeqlin_solv_main} ../zeq_cg.cpp + ../zeqlin_solv.cpp ../utils/lr_util.cpp) add_test( NAME MODULE_LR_zeqlin_failure_mpi COMMAND @@ -92,16 +56,9 @@ if(ENABLE_MPI) endif() addtest( - TARGET - MODULE_LR_gradient_amplitudes - LIBS - base - parameter - ${math_libs} - container - device - SOURCES - test_lr_amp.cpp) + TARGET MODULE_LR_gradient_amplitudes + LIBS base parameter ${math_libs} container device + SOURCES test_lr_amp.cpp) # AO construction shares the existing two-center mock fixture with operator tests. set(root_overlap_test_sources @@ -117,32 +74,14 @@ set(root_overlap_test_sources ../../../source_hamilt/module_hcontainer/func_folding.cpp) addtest( - TARGET - MODULE_LR_state_ovlp - LIBS - base - parameter - ${math_libs} - container - device - psi - SOURCES - test_state_ovlp.cpp - state_ovlp_test.h - ${root_overlap_test_sources}) + TARGET MODULE_LR_state_ovlp + LIBS base parameter ${math_libs} container device psi + SOURCES test_state_ovlp.cpp state_ovlp_test.h ${root_overlap_test_sources}) addtest( - TARGET - MODULE_LR_state_group - LIBS - base - parameter - ${math_libs} - container - device - SOURCES - test_state_group.cpp - ../state_group.cpp) + TARGET MODULE_LR_state_group + LIBS base parameter ${math_libs} container device + SOURCES test_state_group.cpp ../state_group.cpp) set(state_track_test_sources test_state_track.cpp ../state_track.cpp ../state_group.cpp @@ -152,34 +91,18 @@ if(ENABLE_MPI) ../../../source_base/test/mpi_test_main.cpp) endif() addtest( - TARGET - MODULE_LR_state_track - LIBS - base - parameter - ${math_libs} - container - device - psi - SOURCES - ${state_track_test_sources}) + TARGET MODULE_LR_state_track + LIBS base parameter ${math_libs} container device psi + SOURCES ${state_track_test_sources}) set(cal_edm_test_sources test_cal_edm.cpp ../cal_edm.cpp ../utils/lr_util.cpp) if(ENABLE_MPI) list(APPEND cal_edm_test_sources ../../../source_base/test/mpi_test_main.cpp) endif() addtest( - TARGET - MODULE_LR_cal_edm - LIBS - base - parameter - ${math_libs} - container - device - psi - SOURCES - ${cal_edm_test_sources}) + TARGET MODULE_LR_cal_edm + LIBS base parameter ${math_libs} container device psi + SOURCES ${cal_edm_test_sources}) # LR/DM adapter regressions belong to LR; estate must not depend on this module. set(lr_dm_test_sources @@ -211,16 +134,9 @@ if(ENABLE_MPI) list(APPEND lr_dm_test_sources ../../../source_base/test/mpi_test_main.cpp) endif() addtest( - TARGET - MODULE_LR_dm_regressions - LIBS - parameter - base - device - symmetry - container - SOURCES - ${lr_dm_test_sources}) + TARGET MODULE_LR_dm_regressions + LIBS parameter base device symmetry container + SOURCES ${lr_dm_test_sources}) if(ENABLE_MPI) add_test( diff --git a/source/source_lcao/module_lr/utils/test/CMakeLists.txt b/source/source_lcao/module_lr/utils/test/CMakeLists.txt index 10f9257b6d4..201d412d199 100644 --- a/source/source_lcao/module_lr/utils/test/CMakeLists.txt +++ b/source/source_lcao/module_lr/utils/test/CMakeLists.txt @@ -1,58 +1,27 @@ abacus_disable_feature_definitions(__LIBXC) addtest( - TARGET - MODULE_LR_lr_util_phys_test - LIBS - parameter - base - device - container - planewave #for FFT - SOURCES - lr_util_physics_test.cpp - ../lr_util.cpp) + TARGET MODULE_LR_lr_util_phys_test + LIBS parameter base device container planewave #for FFT + SOURCES lr_util_physics_test.cpp ../lr_util.cpp) addtest( - TARGET - MODULE_LR_lr_util_algo_test - LIBS - parameter - base - device - psi - container - planewave #for FFT - SOURCES - lr_util_algo_test.cpp - ../lr_util.cpp) + TARGET MODULE_LR_lr_util_algo_test + LIBS parameter base device psi container planewave #for FFT + SOURCES lr_util_algo_test.cpp ../lr_util.cpp) addtest( - TARGET - MODULE_LR_lr_util_pp - LIBS - parameter - base - device - container - planewave - cell_info - symmetry - psi - SOURCES - test_lr_util.cpp - ../lr_util.cpp - ../../../../source_cell/magnetism.cpp) + TARGET MODULE_LR_lr_util_pp + LIBS parameter + base + device + container + planewave + cell_info + symmetry + psi + SOURCES test_lr_util.cpp ../lr_util.cpp ../../../../source_cell/magnetism.cpp) addtest( - TARGET - MODULE_LR_spectrum_mo_output_test - LIBS - parameter - base - device - psi - container - planewave - SOURCES - test_spectrum_mo_output.cpp - ../spectrum_out.cpp) + TARGET MODULE_LR_spectrum_mo_output_test + LIBS parameter base device psi container planewave + SOURCES test_spectrum_mo_output.cpp ../spectrum_out.cpp) diff --git a/source/source_lcao/module_operator_lcao/test/CMakeLists.txt b/source/source_lcao/module_operator_lcao/test/CMakeLists.txt index a895563b94d..177f1ec9e5b 100644 --- a/source/source_lcao/module_operator_lcao/test/CMakeLists.txt +++ b/source/source_lcao/module_operator_lcao/test/CMakeLists.txt @@ -2,208 +2,152 @@ if(ENABLE_LCAO) abacus_disable_feature_definitions(__FFT_TWO_CENTER) addtest( - TARGET - MODULE_LCAO_ovlp_block - LIBS - parameter - psi - base - device - container - SOURCES - test_ovlp_block.cpp - ../ovlp_block.cpp - tmp_mocks.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - ../../../source_hamilt/operator.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp) + TARGET MODULE_LCAO_ovlp_block + LIBS parameter psi base device container + SOURCES test_ovlp_block.cpp + ../ovlp_block.cpp + tmp_mocks.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + ../../../source_hamilt/operator.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp) addtest( - TARGET - MODULE_LCAO_operator_overlap_test - LIBS - parameter - psi - base - device - container - SOURCES - test_overlap.cpp - ../overlap.cpp - ../ovlp_block.cpp - ../overlap_fs.cpp - ../operator_fs_utils.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_hamilt/module_hcontainer/func_transfer.cpp - ../../../source_hamilt/module_hcontainer/output_hcontainer.cpp - ../../../source_hamilt/module_hcontainer/transfer.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - tmp_mocks.cpp - ../../../source_hamilt/operator.cpp - ../../module_rt/td_folding.cpp) + TARGET MODULE_LCAO_operator_overlap_test + LIBS parameter psi base device container + SOURCES test_overlap.cpp + ../overlap.cpp + ../ovlp_block.cpp + ../overlap_fs.cpp + ../operator_fs_utils.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_hamilt/module_hcontainer/func_transfer.cpp + ../../../source_hamilt/module_hcontainer/output_hcontainer.cpp + ../../../source_hamilt/module_hcontainer/transfer.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + tmp_mocks.cpp + ../../../source_hamilt/operator.cpp + ../../module_rt/td_folding.cpp) addtest( - TARGET - MODULE_LCAO_operator_overlap_serial_test - LIBS - parameter - psi - base - device - container - SOURCES - test_overlap_serial.cpp - ../overlap.cpp - ../ovlp_block.cpp - ../overlap_fs.cpp - ../operator_fs_utils.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_hamilt/module_hcontainer/func_transfer.cpp - ../../../source_hamilt/module_hcontainer/output_hcontainer.cpp - ../../../source_hamilt/module_hcontainer/transfer.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - tmp_mocks.cpp - ../../../source_hamilt/operator.cpp - ../../module_rt/td_folding.cpp) + TARGET MODULE_LCAO_operator_overlap_serial_test + LIBS parameter psi base device container + SOURCES test_overlap_serial.cpp + ../overlap.cpp + ../ovlp_block.cpp + ../overlap_fs.cpp + ../operator_fs_utils.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_hamilt/module_hcontainer/func_transfer.cpp + ../../../source_hamilt/module_hcontainer/output_hcontainer.cpp + ../../../source_hamilt/module_hcontainer/transfer.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + tmp_mocks.cpp + ../../../source_hamilt/operator.cpp + ../../module_rt/td_folding.cpp) addtest( - TARGET - MODULE_LCAO_operator_overlap_cd_test - LIBS - parameter - psi - base - device - container - SOURCES - test_overlap_cd.cpp - ../overlap.cpp - ../ovlp_block.cpp - ../overlap_fs.cpp - ../operator_fs_utils.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_hamilt/module_hcontainer/func_transfer.cpp - ../../../source_hamilt/module_hcontainer/output_hcontainer.cpp - ../../../source_hamilt/module_hcontainer/transfer.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - tmp_mocks.cpp - ../../../source_hamilt/operator.cpp - ../../module_rt/td_folding.cpp) + TARGET MODULE_LCAO_operator_overlap_cd_test + LIBS parameter psi base device container + SOURCES test_overlap_cd.cpp + ../overlap.cpp + ../ovlp_block.cpp + ../overlap_fs.cpp + ../operator_fs_utils.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_hamilt/module_hcontainer/func_transfer.cpp + ../../../source_hamilt/module_hcontainer/output_hcontainer.cpp + ../../../source_hamilt/module_hcontainer/transfer.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + tmp_mocks.cpp + ../../../source_hamilt/operator.cpp + ../../module_rt/td_folding.cpp) addtest( - TARGET - MODULE_LCAO_operator_ekinetic_test - LIBS - parameter - psi - base - device - container - SOURCES - test_ekinetic.cpp - ../ekinetic.cpp - ../ekinetic_fs.cpp - ../ekinetic_dh.cpp - ../operator_fs_utils.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - tmp_mocks.cpp - ../../../source_hamilt/operator.cpp) + TARGET MODULE_LCAO_operator_ekinetic_test + LIBS parameter psi base device container + SOURCES test_ekinetic.cpp + ../ekinetic.cpp + ../ekinetic_fs.cpp + ../ekinetic_dh.cpp + ../operator_fs_utils.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + tmp_mocks.cpp + ../../../source_hamilt/operator.cpp) addtest( - TARGET - MODULE_LCAO_operator_ekinetic_serial_test - LIBS - parameter - psi - base - device - container - SOURCES - test_ekinetic_serial.cpp - ../ekinetic.cpp - ../ekinetic_fs.cpp - ../ekinetic_dh.cpp - ../operator_fs_utils.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - tmp_mocks.cpp - ../../../source_hamilt/operator.cpp) + TARGET MODULE_LCAO_operator_ekinetic_serial_test + LIBS parameter psi base device container + SOURCES test_ekinetic_serial.cpp + ../ekinetic.cpp + ../ekinetic_fs.cpp + ../ekinetic_dh.cpp + ../operator_fs_utils.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + tmp_mocks.cpp + ../../../source_hamilt/operator.cpp) addtest( - TARGET - MODULE_LCAO_operator_nonlocal_test - LIBS - parameter - psi - base - device - container - SOURCES - test_nonlocal.cpp - ../nonlocal.cpp - ../nonlocal_fs.cpp - ../nonlocal_dh.cpp - ../operator_fs_utils.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - tmp_mocks.cpp - ../../../source_hamilt/operator.cpp) + TARGET MODULE_LCAO_operator_nonlocal_test + LIBS parameter psi base device container + SOURCES test_nonlocal.cpp + ../nonlocal.cpp + ../nonlocal_fs.cpp + ../nonlocal_dh.cpp + ../operator_fs_utils.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + tmp_mocks.cpp + ../../../source_hamilt/operator.cpp) addtest( - TARGET - MODULE_LCAO_operator_T_NL_cd_test - LIBS - parameter - psi - base - device - container - SOURCES - test_t_nl_cd.cpp - ../nonlocal.cpp - ../nonlocal_fs.cpp - ../nonlocal_dh.cpp - ../ekinetic.cpp - ../ekinetic_fs.cpp - ../ekinetic_dh.cpp - ../operator_fs_utils.cpp - ../../../source_hamilt/module_hcontainer/func_folding.cpp - ../../../source_hamilt/module_hcontainer/base_matrix.cpp - ../../../source_hamilt/module_hcontainer/hcontainer.cpp - ../../../source_hamilt/module_hcontainer/atom_pair.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp - tmp_mocks.cpp - ../../../source_hamilt/operator.cpp) + TARGET MODULE_LCAO_operator_T_NL_cd_test + LIBS parameter psi base device container + SOURCES test_t_nl_cd.cpp + ../nonlocal.cpp + ../nonlocal_fs.cpp + ../nonlocal_dh.cpp + ../ekinetic.cpp + ../ekinetic_fs.cpp + ../ekinetic_dh.cpp + ../operator_fs_utils.cpp + ../../../source_hamilt/module_hcontainer/func_folding.cpp + ../../../source_hamilt/module_hcontainer/base_matrix.cpp + ../../../source_hamilt/module_hcontainer/hcontainer.cpp + ../../../source_hamilt/module_hcontainer/atom_pair.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp + tmp_mocks.cpp + ../../../source_hamilt/operator.cpp) abacus_copy_test_files(parallel_operator_tests.sh) find_program(BASH bash) diff --git a/source/source_lcao/module_ri/module_exx_symmetry/test/CMakeLists.txt b/source/source_lcao/module_ri/module_exx_symmetry/test/CMakeLists.txt index 459f00817c4..b43430079be 100644 --- a/source/source_lcao/module_ri/module_exx_symmetry/test/CMakeLists.txt +++ b/source/source_lcao/module_ri/module_exx_symmetry/test/CMakeLists.txt @@ -2,18 +2,11 @@ abacus_disable_feature_definitions(__MLALGO) abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) addtest( - TARGET - MODULE_RI_EXX_SYMMETRY_rotation - LIBS - base - device - symmetry - neighbor - parameter - SOURCES - symm_rotation_test.cpp - test_symm_rotation.cpp - ../symm_rotation.cpp - ../symm_rot_out.cpp - ../../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../../source_cell/parallel_kpoints.cpp) + TARGET MODULE_RI_EXX_SYMMETRY_rotation + LIBS base device symmetry neighbor parameter + SOURCES symm_rotation_test.cpp + test_symm_rotation.cpp + ../symm_rotation.cpp + ../symm_rot_out.cpp + ../../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../../source_cell/parallel_kpoints.cpp) diff --git a/source/source_lcao/module_ri/unittests/CMakeLists.txt b/source/source_lcao/module_ri/unittests/CMakeLists.txt index e70aa0dbaf9..a5e27304bc3 100644 --- a/source/source_lcao/module_ri/unittests/CMakeLists.txt +++ b/source/source_lcao/module_ri/unittests/CMakeLists.txt @@ -3,37 +3,21 @@ abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) if(ENABLE_LCAO) addtest( - TARGET - MODULE_RI_exx_workspace - LIBS - base - parameter - device - ${math_libs} - SOURCES - test_exx_workspace.cpp - ../exx_workspace.cpp - ../../../source_basis/module_ao/orb_atomic_lm.cpp) + TARGET MODULE_RI_exx_workspace + LIBS base parameter device ${math_libs} + SOURCES test_exx_workspace.cpp ../exx_workspace.cpp + ../../../source_basis/module_ao/orb_atomic_lm.cpp) endif() addtest( - TARGET - MODULE_RI_dm_mixing_test - LIBS - parameter - base - device - SOURCES - test_mix_dmk_2d.cpp - ../mix_dmk_2d.cpp) + TARGET MODULE_RI_dm_mixing_test + LIBS parameter base device + SOURCES test_mix_dmk_2d.cpp ../mix_dmk_2d.cpp) addtest( - TARGET - MODULE_RI_ri_cv_io_test - LIBS - base - device - parameter - SOURCES - test_write_ri_cv.cpp) -addtest(TARGET MODULE_RI_abfs_vector3_order LIBS parameter SOURCES - test_abfs_vector3_order.cpp) + TARGET MODULE_RI_ri_cv_io_test + LIBS base device parameter + SOURCES test_write_ri_cv.cpp) +addtest( + TARGET MODULE_RI_abfs_vector3_order + LIBS parameter + SOURCES test_abfs_vector3_order.cpp) abacus_copy_test_files(support) diff --git a/source/source_lcao/module_rpa/module_librpa_io/unittests/CMakeLists.txt b/source/source_lcao/module_rpa/module_librpa_io/unittests/CMakeLists.txt index 3f38a5b664b..2b9972c36d1 100644 --- a/source/source_lcao/module_rpa/module_librpa_io/unittests/CMakeLists.txt +++ b/source/source_lcao/module_rpa/module_librpa_io/unittests/CMakeLists.txt @@ -1,12 +1,5 @@ addtest( - TARGET - MODULE_RPA_librpa_stru_symmetry_test - LIBS - base - device - symmetry - SOURCES - test_librpa_stru_symmetry.cpp - ../librpa_bz_sampling.cpp - ../librpa_stru_symmetry.cpp - ../librpa_stru_units.cpp) + TARGET MODULE_RPA_librpa_stru_symmetry_test + LIBS base device symmetry + SOURCES test_librpa_stru_symmetry.cpp ../librpa_bz_sampling.cpp + ../librpa_stru_symmetry.cpp ../librpa_stru_units.cpp) diff --git a/source/source_lcao/module_rpa/unittests/CMakeLists.txt b/source/source_lcao/module_rpa/unittests/CMakeLists.txt index 3fd9a880d41..b445aa7eab5 100644 --- a/source/source_lcao/module_rpa/unittests/CMakeLists.txt +++ b/source/source_lcao/module_rpa/unittests/CMakeLists.txt @@ -1,23 +1,9 @@ addtest( - TARGET - MODULE_RPA_rpa_lri_detail_test - LIBS - parameter - base - device - SOURCES - test_rpa_lri_detail.cpp - ../rpa_lri_detail.cpp - ../rpa_lri_coeff_v1.cpp - ../rpa_lri_bz_io.cpp - ../module_librpa_io/librpa_bz_sampling.cpp) + TARGET MODULE_RPA_rpa_lri_detail_test + LIBS parameter base device + SOURCES test_rpa_lri_detail.cpp ../rpa_lri_detail.cpp ../rpa_lri_coeff_v1.cpp + ../rpa_lri_bz_io.cpp ../module_librpa_io/librpa_bz_sampling.cpp) addtest( - TARGET - MODULE_RPA_rpa_lri_band_io_test - LIBS - parameter - base - device - SOURCES - test_rpa_lri_band_io.cpp - ../rpa_lri_band_io.cpp) + TARGET MODULE_RPA_rpa_lri_band_io_test + LIBS parameter base device + SOURCES test_rpa_lri_band_io.cpp ../rpa_lri_band_io.cpp) diff --git a/source/source_lcao/module_rt/test/CMakeLists.txt b/source/source_lcao/module_rt/test/CMakeLists.txt index e4a2c5e0efb..e212c1460b6 100644 --- a/source/source_lcao/module_rt/test/CMakeLists.txt +++ b/source/source_lcao/module_rt/test/CMakeLists.txt @@ -14,154 +14,99 @@ target_link_libraries(tddft_test_lib PRIVATE Threads::Threads GTest::gtest_main # target also needs its GPU kernels and distributed-library link dependencies. if(NOT ENABLE_CUBLASMP) addtest( - TARGET - MODULE_LCAO_tddft_evolve_psi_test - LIBS - parameter - base - device - tddft_test_lib - SOURCES - test_evolve_psi.cpp - ../evolve_psi.cpp - ../middle_hamilt.cpp - ../norm_psi.cpp - ../band_energy.cpp - ../upsi.cpp - ../solve_propagation.cpp - ../propagator.cpp - ../propagator_cn2.cpp - ../propagator_taylor.cpp - ../propagator_etrs.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_io/module_energy/td_eij_io.cpp) + TARGET MODULE_LCAO_tddft_evolve_psi_test + LIBS parameter base device tddft_test_lib + SOURCES test_evolve_psi.cpp + ../evolve_psi.cpp + ../middle_hamilt.cpp + ../norm_psi.cpp + ../band_energy.cpp + ../upsi.cpp + ../solve_propagation.cpp + ../propagator.cpp + ../propagator_cn2.cpp + ../propagator_taylor.cpp + ../propagator_etrs.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_io/module_energy/td_eij_io.cpp) endif() addtest( - TARGET - MODULE_LCAO_tddft_middle_hamilt_test - LIBS - parameter - base - device - tddft_test_lib - SOURCES - middle_hamilt_test.cpp - ../middle_hamilt.cpp) + TARGET MODULE_LCAO_tddft_middle_hamilt_test + LIBS parameter base device tddft_test_lib + SOURCES middle_hamilt_test.cpp ../middle_hamilt.cpp) addtest( - TARGET - MODULE_LCAO_tddft_band_energy_test - LIBS - parameter - base - device - tddft_test_lib - SOURCES - band_energy_test.cpp - ../band_energy.cpp - ../../../source_basis/module_ao/parallel_orbitals.cpp - ../../../source_io/module_energy/td_eij_io.cpp) + TARGET MODULE_LCAO_tddft_band_energy_test + LIBS parameter base device tddft_test_lib + SOURCES band_energy_test.cpp ../band_energy.cpp + ../../../source_basis/module_ao/parallel_orbitals.cpp + ../../../source_io/module_energy/td_eij_io.cpp) addtest( - TARGET - MODULE_LCAO_tddft_norm_psi_test - LIBS - parameter - base - device - tddft_test_lib - SOURCES - norm_psi_test.cpp - ../norm_psi.cpp) + TARGET MODULE_LCAO_tddft_norm_psi_test + LIBS parameter base device tddft_test_lib + SOURCES norm_psi_test.cpp ../norm_psi.cpp) addtest( - TARGET - MODULE_LCAO_tddft_upsi_test - LIBS - parameter - base - device - tddft_test_lib - SOURCES - upsi_test1.cpp - upsi_test2.cpp - upsi_test3.cpp - ../upsi.cpp) + TARGET MODULE_LCAO_tddft_upsi_test + LIBS parameter base device tddft_test_lib + SOURCES upsi_test1.cpp upsi_test2.cpp upsi_test3.cpp ../upsi.cpp) addtest( - TARGET - MODULE_LCAO_tddft_propagator_test - LIBS - parameter - base - device - tddft_test_lib - SOURCES - propagator_test1.cpp - propagator_test2.cpp - propagator_test3.cpp - ../propagator.cpp - ../propagator_cn2.cpp - ../propagator_taylor.cpp - ../propagator_etrs.cpp) + TARGET MODULE_LCAO_tddft_propagator_test + LIBS parameter base device tddft_test_lib + SOURCES propagator_test1.cpp + propagator_test2.cpp + propagator_test3.cpp + ../propagator.cpp + ../propagator_cn2.cpp + ../propagator_taylor.cpp + ../propagator_etrs.cpp) addtest( - TARGET - MODULE_LCAO_tddft_snap_psibeta_half_test - LIBS - parameter - base - device - orb - numerical_atomic_orbitals - nao_smoothgen - tddft_test_lib - SOURCES - snap_psb_half_tddft_test.cpp - ../radial_interpolation.cpp - ../snap_proj_half_tddft.cpp - ../snap_psb_half_tddft.cpp - ../../center2orb.cpp - ../../center2orb_orb11.cpp - ../../center2orb_orb21.cpp - ../../setup_nonlocal.cpp - ../../../source_cell/atom_spec.cpp - ../../../source_cell/atom_pseudo.cpp - ../../../source_cell/pseudo.cpp - ../../../source_cell/read_pp.cpp - ../../../source_cell/read_pp_complete.cpp - ../../../source_cell/read_pp_upf201.cpp - ../../../source_cell/read_pp_upf100.cpp - ../../../source_cell/read_pp_vwr.cpp - ../../../source_cell/read_pp_blps.cpp - ../../../source_io/module_hs/pos_op_mat.cpp - ../../../source_io/module_hs/pos_op_basis.cpp - ../../../source_io/module_hs/pos_op_calc.cpp - ../../../source_io/module_hs/pos_op_writer.cpp - ../../../source_io/module_hs/lat_r_csr.cpp - ../../../source_io/module_hs/pos_op_csr.cpp - ../../../source_pw/module_pwdft/soc.cpp - ${SNAP_PSIBETA_CUDA_TEST_SOURCES}) + TARGET MODULE_LCAO_tddft_snap_psibeta_half_test + LIBS parameter + base + device + orb + numerical_atomic_orbitals + nao_smoothgen + tddft_test_lib + SOURCES snap_psb_half_tddft_test.cpp + ../radial_interpolation.cpp + ../snap_proj_half_tddft.cpp + ../snap_psb_half_tddft.cpp + ../../center2orb.cpp + ../../center2orb_orb11.cpp + ../../center2orb_orb21.cpp + ../../setup_nonlocal.cpp + ../../../source_cell/atom_spec.cpp + ../../../source_cell/atom_pseudo.cpp + ../../../source_cell/pseudo.cpp + ../../../source_cell/read_pp.cpp + ../../../source_cell/read_pp_complete.cpp + ../../../source_cell/read_pp_upf201.cpp + ../../../source_cell/read_pp_upf100.cpp + ../../../source_cell/read_pp_vwr.cpp + ../../../source_cell/read_pp_blps.cpp + ../../../source_io/module_hs/pos_op_mat.cpp + ../../../source_io/module_hs/pos_op_basis.cpp + ../../../source_io/module_hs/pos_op_calc.cpp + ../../../source_io/module_hs/pos_op_writer.cpp + ../../../source_io/module_hs/lat_r_csr.cpp + ../../../source_io/module_hs/pos_op_csr.cpp + ../../../source_pw/module_pwdft/soc.cpp + ${SNAP_PSIBETA_CUDA_TEST_SOURCES}) addtest( - TARGET - MODULE_LCAO_tddft_rad_interp_test - LIBS - base - device - SOURCES - rad_interp_test.cpp - ../radial_interpolation.cpp) + TARGET MODULE_LCAO_tddft_rad_interp_test + LIBS base device + SOURCES rad_interp_test.cpp ../radial_interpolation.cpp) if(USE_CUDA) addtest( - TARGET - MODULE_LCAO_tddft_rad_interp_cuda_test - LIBS - base - device - SOURCES - rad_interp_cuda_test.cu - ../radial_interpolation.cpp) + TARGET MODULE_LCAO_tddft_rad_interp_cuda_test + LIBS base device + SOURCES rad_interp_cuda_test.cu ../radial_interpolation.cpp) endif() diff --git a/source/source_lcao/test/CMakeLists.txt b/source/source_lcao/test/CMakeLists.txt index 53fde5e20ad..64adf8141ac 100644 --- a/source/source_lcao/test/CMakeLists.txt +++ b/source/source_lcao/test/CMakeLists.txt @@ -4,65 +4,51 @@ abacus_disable_feature_definitions(__ROCM) if(ENABLE_LCAO) addtest( - TARGET - MODULE_LCAO_init_dm_from_file_test - LIBS - parameter - base - device - symmetry + TARGET MODULE_LCAO_init_dm_from_file_test + LIBS parameter base device symmetry SOURCES - test_init_dm_from_file.cpp - tmp_mocks.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/density_matrix.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_gamma.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_init.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dm_setter.cpp - ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dm_getter.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/read_hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/func_transfer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/func_folding.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/transfer.cpp - ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp - ${ABACUS_SOURCE_DIR}/source_io/module_dm/write_dmr.cpp - ${ABACUS_SOURCE_DIR}/source_cell/ucell_io.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/output_hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_cell/klist.cpp - ${ABACUS_SOURCE_DIR}/source_cell/klist_io.cpp - ${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp - ${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp) + test_init_dm_from_file.cpp + tmp_mocks.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/density_matrix.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_gamma.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dmr_init.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dm_setter.cpp + ${ABACUS_SOURCE_DIR}/source_estate/module_dm/dm_getter.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/read_hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/func_transfer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/func_folding.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/transfer.cpp + ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp + ${ABACUS_SOURCE_DIR}/source_io/module_dm/write_dmr.cpp + ${ABACUS_SOURCE_DIR}/source_cell/ucell_io.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/output_hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_cell/klist.cpp + ${ABACUS_SOURCE_DIR}/source_cell/klist_io.cpp + ${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp + ${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp) addtest( - TARGET - MODULE_LCAO_output_hcontainer_consistency_test - LIBS - parameter - base - device + TARGET MODULE_LCAO_output_hcontainer_consistency_test + LIBS parameter base device SOURCES - test_output_hcontainer_consistency.cpp - tmp_mocks.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/read_hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/output_hcontainer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/func_transfer.cpp - ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/transfer.cpp - ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp - ${ABACUS_SOURCE_DIR}/source_io/module_dm/write_dmr.cpp - ${ABACUS_SOURCE_DIR}/source_cell/ucell_io.cpp) + test_output_hcontainer_consistency.cpp + tmp_mocks.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/read_hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/output_hcontainer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/func_transfer.cpp + ${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/transfer.cpp + ${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp + ${ABACUS_SOURCE_DIR}/source_io/module_dm/write_dmr.cpp + ${ABACUS_SOURCE_DIR}/source_cell/ucell_io.cpp) addtest( - TARGET - MODULE_LCAO_init_chg_hr_error_test - LIBS - parameter - base - device - SOURCES - test_init_chg_hr_error.cpp) + TARGET MODULE_LCAO_init_chg_hr_error_test + LIBS parameter base device + SOURCES test_init_chg_hr_error.cpp) endif() diff --git a/source/source_md/test/CMakeLists.txt b/source/source_md/test/CMakeLists.txt index 3392af2467c..48e79476a08 100644 --- a/source/source_md/test/CMakeLists.txt +++ b/source/source_md/test/CMakeLists.txt @@ -74,28 +74,16 @@ list( ../../source_cell/sep_cell.cpp) addtest( - TARGET - MODULE_MD_LJ_pot - LIBS - parameter - psi - device - SOURCES - lj_pot_test.cpp - ../../source_cell/module_neighlist/test/test_domain_decomposition.cpp - ${depend_files}) + TARGET MODULE_MD_LJ_pot + LIBS parameter psi device + SOURCES lj_pot_test.cpp + ../../source_cell/module_neighlist/test/test_domain_decomposition.cpp + ${depend_files}) addtest( - TARGET - MODULE_MD_func - LIBS - parameter - psi - device - SOURCES - md_func_test.cpp - test_md_func.cpp - ${depend_files}) + TARGET MODULE_MD_func + LIBS parameter psi device + SOURCES md_func_test.cpp test_md_func.cpp ${depend_files}) set(md_run_json_sources) if(ENABLE_JSON) @@ -104,91 +92,46 @@ if(ENABLE_JSON) endif() addtest( - TARGET - MODULE_MD_run - LIBS - parameter - psi - device - SOURCES - run_md_test.cpp - ../run_md.cpp - ../module_plumed/plumed_interface.cpp - ../md_base.cpp - ../fire.cpp - ../langevin.cpp - ../msst.cpp - ../nhchain.cpp - ../verlet.cpp - ../../source_cell/mdcell_reader.cpp - ../../source_cell/magnetism.cpp - ${md_run_json_sources} - ${depend_files}) + TARGET MODULE_MD_run + LIBS parameter psi device + SOURCES run_md_test.cpp + ../run_md.cpp + ../module_plumed/plumed_interface.cpp + ../md_base.cpp + ../fire.cpp + ../langevin.cpp + ../msst.cpp + ../nhchain.cpp + ../verlet.cpp + ../../source_cell/mdcell_reader.cpp + ../../source_cell/magnetism.cpp + ${md_run_json_sources} + ${depend_files}) addtest( - TARGET - MODULE_MD_fire - LIBS - parameter - psi - device - SOURCES - fire_test.cpp - ../md_base.cpp - ../fire.cpp - ${depend_files}) + TARGET MODULE_MD_fire + LIBS parameter psi device + SOURCES fire_test.cpp ../md_base.cpp ../fire.cpp ${depend_files}) addtest( - TARGET - MODULE_MD_verlet - LIBS - parameter - psi - device - SOURCES - verlet_test.cpp - ../md_base.cpp - ../verlet.cpp - ${depend_files}) + TARGET MODULE_MD_verlet + LIBS parameter psi device + SOURCES verlet_test.cpp ../md_base.cpp ../verlet.cpp ${depend_files}) addtest( - TARGET - MODULE_MD_nhc - LIBS - parameter - psi - device - SOURCES - nhchain_test.cpp - ../md_base.cpp - ../nhchain.cpp - ../../source_base/output.cpp - ${depend_files}) + TARGET MODULE_MD_nhc + LIBS parameter psi device + SOURCES nhchain_test.cpp ../md_base.cpp ../nhchain.cpp + ../../source_base/output.cpp ${depend_files}) addtest( - TARGET - MODULE_MD_msst - LIBS - parameter - psi - device - SOURCES - msst_test.cpp - ../md_base.cpp - ../msst.cpp - ../../source_cell/update_cell.cpp - ../../source_base/output.cpp - ${depend_files}) + TARGET MODULE_MD_msst + LIBS parameter psi device + SOURCES msst_test.cpp ../md_base.cpp ../msst.cpp + ../../source_cell/update_cell.cpp ../../source_base/output.cpp + ${depend_files}) addtest( - TARGET - MODULE_MD_lgv - LIBS - parameter - psi - device - SOURCES - langevin_test.cpp - ../md_base.cpp - ../langevin.cpp - ${depend_files}) + TARGET MODULE_MD_lgv + LIBS parameter psi device + SOURCES langevin_test.cpp ../md_base.cpp ../langevin.cpp ${depend_files}) diff --git a/source/source_psi/CMakeLists.txt b/source/source_psi/CMakeLists.txt index 273d42d7c1b..67de255887f 100644 --- a/source/source_psi/CMakeLists.txt +++ b/source/source_psi/CMakeLists.txt @@ -1,36 +1,24 @@ -add_library( - psi - OBJECT - psi.cpp -) +add_library(psi OBJECT psi.cpp) -add_library( - psi_overall_init - OBJECT - setup_psi_pw.cpp - setup_psi.cpp - psi_prepare.cpp -) +add_library(psi_overall_init OBJECT setup_psi_pw.cpp setup_psi.cpp + psi_prepare.cpp) add_library( - psi_init - OBJECT + psi_init OBJECT psi_base.cpp psi_init_random.cpp psi_init_file.cpp psi_init_atomic.cpp psi_init_atom_rand.cpp psi_init_nao.cpp - psi_init_nao_random.cpp -) - + psi_init_nao_random.cpp) if(ENABLE_COVERAGE) add_coverage(psi) add_coverage(psi_init) endif() -if (BUILD_TESTING) +if(BUILD_TESTING) # add_subdirectory(kernels/test) if(ENABLE_MPI) add_subdirectory(test) diff --git a/source/source_psi/test/CMakeLists.txt b/source/source_psi/test/CMakeLists.txt index 2177a5a072b..7564457f779 100644 --- a/source/source_psi/test/CMakeLists.txt +++ b/source/source_psi/test/CMakeLists.txt @@ -1,24 +1,18 @@ -AddTest( - TARGET MODULE_PSI_Unittests - LIBS parameter base device - SOURCES - psi_test.cpp - ../psi.cpp -) +addtest( + TARGET MODULE_PSI_Unittests + LIBS parameter base device + SOURCES psi_test.cpp ../psi.cpp) if(ENABLE_LCAO) -AddTest( + addtest( TARGET MODULE_PSI_init_test LIBS parameter base device psi psi_init planewave - SOURCES - psi_init_unit_test.cpp - ../../source_pw/module_pwdft/soc.cpp - ../../source_cell/atom_spec.cpp - ../../source_cell/test/support/mock_unitcell.cpp - - ../../source_io/module_output/write_pao.cpp - ../../source_io/module_wf/read_wfc_pw.cpp -) + SOURCES psi_init_unit_test.cpp + ../../source_pw/module_pwdft/soc.cpp + ../../source_cell/atom_spec.cpp + ../../source_cell/test/support/mock_unitcell.cpp + ../../source_io/module_output/write_pao.cpp + ../../source_io/module_wf/read_wfc_pw.cpp) endif() abacus_copy_test_files(support) diff --git a/source/source_pw/module_dfpt/test/CMakeLists.txt b/source/source_pw/module_dfpt/test/CMakeLists.txt index 50b13aa6c5d..80db18c630b 100644 --- a/source/source_pw/module_dfpt/test/CMakeLists.txt +++ b/source/source_pw/module_dfpt/test/CMakeLists.txt @@ -4,85 +4,55 @@ abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__EXX) addtest( - TARGET - MODULE_DFPT_pw_data_test - LIBS - parameter - base - device - symmetry - SOURCES - dfpt_pw_data_test.cpp - ../dfpt_pw_data.cpp - ../../../source_cell/qlist.cpp - ../../../source_cell/reciprocal_grid.cpp - ../../../source_psi/psi.cpp - # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures. - dfpt_test_mocks.cpp - # Shared cubic-cell / stru_lib fixture. - dfpt_stru_fixture.cpp) + TARGET MODULE_DFPT_pw_data_test + LIBS parameter base device symmetry + SOURCES dfpt_pw_data_test.cpp + ../dfpt_pw_data.cpp + ../../../source_cell/qlist.cpp + ../../../source_cell/reciprocal_grid.cpp + ../../../source_psi/psi.cpp + # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures. + dfpt_test_mocks.cpp + # Shared cubic-cell / stru_lib fixture. + dfpt_stru_fixture.cpp) addtest( - TARGET - MODULE_DFPT_kq_basis_test - LIBS - parameter - base - device - symmetry - planewave - SOURCES - dfpt_kq_basis_test.cpp - ../dfpt_kq_basis.cpp - dfpt_test_mocks.cpp) + TARGET MODULE_DFPT_kq_basis_test + LIBS parameter base device symmetry planewave + SOURCES dfpt_kq_basis_test.cpp ../dfpt_kq_basis.cpp dfpt_test_mocks.cpp) addtest( - TARGET - MODULE_DFPT_stern_test - LIBS - parameter - base - device - symmetry - SOURCES - dfpt_stern_test.cpp - ../dfpt_stern.cpp - dfpt_test_mocks.cpp) + TARGET MODULE_DFPT_stern_test + LIBS parameter base device symmetry + SOURCES dfpt_stern_test.cpp ../dfpt_stern.cpp dfpt_test_mocks.cpp) addtest( - TARGET - MODULE_DFPT_pw_run_test - LIBS - parameter - base - device - symmetry - planewave - SOURCES - dfpt_pw_run_test.cpp - ../dfpt_pw.cpp - ../dfpt_pw_init.cpp - ../dfpt_pw_run.cpp - ../dfpt_pw_solve.cpp - ../dfpt_pw_q0.cpp - ../dfpt_pw_data.cpp - ../dfpt_pert.cpp - ../dfpt_pert_vkb.cpp - ../dfpt_pert_nl.cpp - ../dfpt_kq_basis.cpp - ../dfpt_stern.cpp - ../dfpt_rho.cpp - ../dfpt_phon.cpp - ../dfpt_phon_ewald.cpp - ../dfpt_phon_elec.cpp - ../dfpt_q0.cpp - ../dfpt_q0_pos.cpp - ../dfpt_metal.cpp - ../dfpt_hamilt_shift.cpp - ../../../source_cell/qlist.cpp - ../../../source_cell/reciprocal_grid.cpp - ../../../source_psi/psi.cpp - # Shared ctor/dtor stubs for the cell/spepot/charge/Plus_U closures. - dfpt_test_mocks.cpp - # Shared cubic-cell / stru_lib fixture. - dfpt_stru_fixture.cpp) + TARGET MODULE_DFPT_pw_run_test + LIBS parameter base device symmetry planewave + SOURCES dfpt_pw_run_test.cpp + ../dfpt_pw.cpp + ../dfpt_pw_init.cpp + ../dfpt_pw_run.cpp + ../dfpt_pw_solve.cpp + ../dfpt_pw_q0.cpp + ../dfpt_pw_data.cpp + ../dfpt_pert.cpp + ../dfpt_pert_vkb.cpp + ../dfpt_pert_nl.cpp + ../dfpt_kq_basis.cpp + ../dfpt_stern.cpp + ../dfpt_rho.cpp + ../dfpt_phon.cpp + ../dfpt_phon_ewald.cpp + ../dfpt_phon_elec.cpp + ../dfpt_q0.cpp + ../dfpt_q0_pos.cpp + ../dfpt_metal.cpp + ../dfpt_hamilt_shift.cpp + ../../../source_cell/qlist.cpp + ../../../source_cell/reciprocal_grid.cpp + ../../../source_psi/psi.cpp + # Shared ctor/dtor stubs for the cell/spepot/charge/Plus_U closures. + dfpt_test_mocks.cpp + # Shared cubic-cell / stru_lib fixture. + dfpt_stru_fixture.cpp) diff --git a/source/source_pw/module_dfpt/test_serial/CMakeLists.txt b/source/source_pw/module_dfpt/test_serial/CMakeLists.txt index 6e4171510e5..47e5a3c174f 100644 --- a/source/source_pw/module_dfpt/test_serial/CMakeLists.txt +++ b/source/source_pw/module_dfpt/test_serial/CMakeLists.txt @@ -27,133 +27,97 @@ add_library( ../../../source_basis/module_pw/pw_transform_k.cpp) addtest( - TARGET - MODULE_DFPT_pert_serial - LIBS - parameter - dfpt_planewave_serial - device - base - symmetry - SOURCES - dfpt_pert_serial_test.cpp - ../dfpt_pert.cpp - ../dfpt_pert_vkb.cpp - ../dfpt_pert_nl.cpp - ../dfpt_pw_data.cpp - ../dfpt_kq_basis.cpp - ../../../source_cell/qlist.cpp - ../../../source_cell/reciprocal_grid.cpp - ../../../source_psi/psi.cpp - # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures - # (see test/dfpt_test_mocks.cpp). - ../test/dfpt_test_mocks.cpp - # Shared serial-side cell/basis/data fixture. - dfpt_serial_fixture.cpp) + TARGET MODULE_DFPT_pert_serial + LIBS parameter dfpt_planewave_serial device base symmetry + SOURCES dfpt_pert_serial_test.cpp + ../dfpt_pert.cpp + ../dfpt_pert_vkb.cpp + ../dfpt_pert_nl.cpp + ../dfpt_pw_data.cpp + ../dfpt_kq_basis.cpp + ../../../source_cell/qlist.cpp + ../../../source_cell/reciprocal_grid.cpp + ../../../source_psi/psi.cpp + # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures + # (see test/dfpt_test_mocks.cpp). + ../test/dfpt_test_mocks.cpp + # Shared serial-side cell/basis/data fixture. + dfpt_serial_fixture.cpp) addtest( - TARGET - MODULE_DFPT_rho_serial - LIBS - parameter - dfpt_planewave_serial - device - base - symmetry - SOURCES - dfpt_rho_serial_test.cpp - ../dfpt_rho.cpp - ../dfpt_pw_data.cpp - ../dfpt_kq_basis.cpp - ../../../source_cell/qlist.cpp - ../../../source_cell/reciprocal_grid.cpp - ../../../source_psi/psi.cpp - # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures - # (see test/dfpt_test_mocks.cpp). - ../test/dfpt_test_mocks.cpp - # Shared serial-side cell/basis/data fixture. - dfpt_serial_fixture.cpp) + TARGET MODULE_DFPT_rho_serial + LIBS parameter dfpt_planewave_serial device base symmetry + SOURCES dfpt_rho_serial_test.cpp + ../dfpt_rho.cpp + ../dfpt_pw_data.cpp + ../dfpt_kq_basis.cpp + ../../../source_cell/qlist.cpp + ../../../source_cell/reciprocal_grid.cpp + ../../../source_psi/psi.cpp + # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures + # (see test/dfpt_test_mocks.cpp). + ../test/dfpt_test_mocks.cpp + # Shared serial-side cell/basis/data fixture. + dfpt_serial_fixture.cpp) addtest( - TARGET - MODULE_DFPT_phon_serial - LIBS - parameter - dfpt_planewave_serial - device - base - symmetry - SOURCES - dfpt_phon_serial_test.cpp - ../dfpt_phon.cpp - ../dfpt_phon_ewald.cpp - ../dfpt_phon_elec.cpp - ../dfpt_pert.cpp - ../dfpt_pert_vkb.cpp - ../dfpt_pert_nl.cpp - ../dfpt_pw_data.cpp - ../dfpt_kq_basis.cpp - ../../../source_cell/qlist.cpp - ../../../source_cell/reciprocal_grid.cpp - ../../../source_psi/psi.cpp - # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures - # (see test/dfpt_test_mocks.cpp). - ../test/dfpt_test_mocks.cpp - # Shared serial-side cell/basis/data fixture. - dfpt_serial_fixture.cpp) + TARGET MODULE_DFPT_phon_serial + LIBS parameter dfpt_planewave_serial device base symmetry + SOURCES dfpt_phon_serial_test.cpp + ../dfpt_phon.cpp + ../dfpt_phon_ewald.cpp + ../dfpt_phon_elec.cpp + ../dfpt_pert.cpp + ../dfpt_pert_vkb.cpp + ../dfpt_pert_nl.cpp + ../dfpt_pw_data.cpp + ../dfpt_kq_basis.cpp + ../../../source_cell/qlist.cpp + ../../../source_cell/reciprocal_grid.cpp + ../../../source_psi/psi.cpp + # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures + # (see test/dfpt_test_mocks.cpp). + ../test/dfpt_test_mocks.cpp + # Shared serial-side cell/basis/data fixture. + dfpt_serial_fixture.cpp) addtest( - TARGET - MODULE_DFPT_q0_serial - LIBS - parameter - dfpt_planewave_serial - device - base - symmetry - SOURCES - dfpt_q0_serial_test.cpp - ../dfpt_q0.cpp - ../dfpt_q0_pos.cpp - ../dfpt_pert.cpp - ../dfpt_pert_vkb.cpp - ../dfpt_pert_nl.cpp - ../dfpt_pw_data.cpp - ../dfpt_kq_basis.cpp - ../../../source_cell/qlist.cpp - ../../../source_cell/reciprocal_grid.cpp - ../../../source_psi/psi.cpp - # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures - # (see test/dfpt_test_mocks.cpp). - ../test/dfpt_test_mocks.cpp - # Shared serial-side cell/basis/data fixture. - dfpt_serial_fixture.cpp) + TARGET MODULE_DFPT_q0_serial + LIBS parameter dfpt_planewave_serial device base symmetry + SOURCES dfpt_q0_serial_test.cpp + ../dfpt_q0.cpp + ../dfpt_q0_pos.cpp + ../dfpt_pert.cpp + ../dfpt_pert_vkb.cpp + ../dfpt_pert_nl.cpp + ../dfpt_pw_data.cpp + ../dfpt_kq_basis.cpp + ../../../source_cell/qlist.cpp + ../../../source_cell/reciprocal_grid.cpp + ../../../source_psi/psi.cpp + # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures + # (see test/dfpt_test_mocks.cpp). + ../test/dfpt_test_mocks.cpp + # Shared serial-side cell/basis/data fixture. + dfpt_serial_fixture.cpp) # Analytic libxc first-order XC kernel (empty TU without libxc, so the test # only exists when the feature is compiled in) if(ENABLE_LIBXC) addtest( - TARGET - MODULE_DFPT_xc_analytic_serial - LIBS - parameter - dfpt_planewave_serial - device - base - symmetry - Libxc::xc - SOURCES - dfpt_xc_analytic_serial_test.cpp - ../dfpt_xc_analytic.cpp - ../dfpt_rho.cpp - ../dfpt_pw_data.cpp - ../dfpt_kq_basis.cpp - ../../../source_cell/qlist.cpp - ../../../source_cell/reciprocal_grid.cpp - ../../../source_psi/psi.cpp - # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures - # (see test/dfpt_test_mocks.cpp). - ../test/dfpt_test_mocks.cpp - # Shared serial-side cell/basis/data fixture. - dfpt_serial_fixture.cpp) + TARGET MODULE_DFPT_xc_analytic_serial + LIBS parameter dfpt_planewave_serial device base symmetry Libxc::xc + SOURCES dfpt_xc_analytic_serial_test.cpp + ../dfpt_xc_analytic.cpp + ../dfpt_rho.cpp + ../dfpt_pw_data.cpp + ../dfpt_kq_basis.cpp + ../../../source_cell/qlist.cpp + ../../../source_cell/reciprocal_grid.cpp + ../../../source_psi/psi.cpp + # Shared ctor/dtor stubs for the cell/spepot/Plus_U link closures + # (see test/dfpt_test_mocks.cpp). + ../test/dfpt_test_mocks.cpp + # Shared serial-side cell/basis/data fixture. + dfpt_serial_fixture.cpp) endif() diff --git a/source/source_pw/module_ofdft/test/CMakeLists.txt b/source/source_pw/module_ofdft/test/CMakeLists.txt index cac0bb2dfd1..dc270998e86 100644 --- a/source/source_pw/module_ofdft/test/CMakeLists.txt +++ b/source/source_pw/module_ofdft/test/CMakeLists.txt @@ -22,5 +22,7 @@ if(ENABLE_MPI) list(APPEND ofdft_test_libs MPI::MPI_CXX) endif() -addtest(TARGET MODULE_PW_OfDFT LIBS ${ofdft_test_libs} SOURCES - ${ofdft_test_sources}) +addtest( + TARGET MODULE_PW_OfDFT + LIBS ${ofdft_test_libs} + SOURCES ${ofdft_test_sources}) diff --git a/source/source_pw/module_proj/unittests/CMakeLists.txt b/source/source_pw/module_proj/unittests/CMakeLists.txt index 4d2366f2fe4..22a129d0a30 100644 --- a/source/source_pw/module_proj/unittests/CMakeLists.txt +++ b/source/source_pw/module_proj/unittests/CMakeLists.txt @@ -1,21 +1,9 @@ addtest( - TARGET - MODULE_PW_radial_proj_test - LIBS - parameter - base - device - SOURCES - test_radial_proj.cpp - ../radial_proj.cpp) + TARGET MODULE_PW_radial_proj_test + LIBS parameter base device + SOURCES test_radial_proj.cpp ../radial_proj.cpp) addtest( - TARGET - MODULE_PW_projgen_test - LIBS - parameter - base - device - SOURCES - test_projgen.cpp - ../projgen.cpp) + TARGET MODULE_PW_projgen_test + LIBS parameter base device + SOURCES test_projgen.cpp ../projgen.cpp) diff --git a/source/source_pw/module_pwdft/CMakeLists.txt b/source/source_pw/module_pwdft/CMakeLists.txt index 2b0af1ec744..9379d409cc2 100644 --- a/source/source_pw/module_pwdft/CMakeLists.txt +++ b/source/source_pw/module_pwdft/CMakeLists.txt @@ -1,4 +1,3 @@ - list( APPEND objects diff --git a/source/source_pw/module_pwdft/kernels/test/CMakeLists.txt b/source/source_pw/module_pwdft/kernels/test/CMakeLists.txt index 63b8d44e87d..a547ceaa0f9 100644 --- a/source/source_pw/module_pwdft/kernels/test/CMakeLists.txt +++ b/source/source_pw/module_pwdft/kernels/test/CMakeLists.txt @@ -1,21 +1,14 @@ addtest(TARGET deltaspin_force_cpu_test SOURCES test_force_op.cpp - ../force_op.cpp) + ../force_op.cpp) addtest(TARGET deltaspin_stress_cpu_test SOURCES test_stress_op.cpp - ../stress_op.cpp) + ../stress_op.cpp) if(USE_CUDA) addtest( - TARGET - deltaspin_force_gpu_test - LIBS - CUDA::cudart - KEEP_FEATURE_DEFINITIONS - __CUDA - SOURCES - test_force_op.cpp - ../force_op.cpp - ../cuda/force_op.cu) + TARGET deltaspin_force_gpu_test + LIBS CUDA::cudart KEEP_FEATURE_DEFINITIONS __CUDA + SOURCES test_force_op.cpp ../force_op.cpp ../cuda/force_op.cu) endif() abacus_disable_feature_definitions(__LCAO) @@ -23,31 +16,19 @@ abacus_disable_feature_definitions(__MLALGO) abacus_disable_feature_definitions(__CUDA) addtest( - TARGET - MODULE_PW_Hamilt_Kernels_UTs - LIBS - parameter - device - base - container - SOURCES - ekinetic_op_test.cpp - nonlocal_op_test.cpp - veff_op_test.cpp - meta_op_test.cpp - force_op_test.cpp - stress_op_test.cpp - wf_op_test.cpp - vnl_op_test.cpp - stress_op_mgga_test.cpp) + TARGET MODULE_PW_Hamilt_Kernels_UTs + LIBS parameter device base container + SOURCES ekinetic_op_test.cpp + nonlocal_op_test.cpp + veff_op_test.cpp + meta_op_test.cpp + force_op_test.cpp + stress_op_test.cpp + wf_op_test.cpp + vnl_op_test.cpp + stress_op_mgga_test.cpp) addtest( - TARGET - onsite_op_test - LIBS - parameter - device - base - container - SOURCES - onsite_op_test.cpp) + TARGET onsite_op_test + LIBS parameter device base container + SOURCES onsite_op_test.cpp) diff --git a/source/source_pw/module_pwdft/test/CMakeLists.txt b/source/source_pw/module_pwdft/test/CMakeLists.txt index 91e0ce07bcc..6fe89de91eb 100644 --- a/source/source_pw/module_pwdft/test/CMakeLists.txt +++ b/source/source_pw/module_pwdft/test/CMakeLists.txt @@ -4,121 +4,96 @@ abacus_disable_feature_definitions(__ROCM) abacus_disable_feature_definitions(__EXX) addtest( - TARGET - MODULE_PW_pwdft_soc - LIBS - parameter - SOURCES - soc_test.cpp - ../soc.cpp - ../../../source_base/global_variable.cpp - ../../../source_base/global_function.cpp - ../../../source_base/global_file.cpp - ../../../source_base/tool_quit.cpp - ../../../source_base/global_variable.cpp - ../../../source_base/global_file.cpp - ../../../source_base/memory_recorder.cpp - ../../../source_base/timer.cpp - ../../../source_base/module_external/blas_connector_base.cpp - ../../../source_base/module_external/blas_connector_vector.cpp - ../../../source_base/module_external/blas_connector_matrix.cpp - ../../../source_base/parallel_global.cpp - ../../../source_base/parallel_comm.cpp - ../../../source_base/parallel_common.cpp - ../../../source_base/parallel_reduce.cpp) + TARGET MODULE_PW_pwdft_soc + LIBS parameter + SOURCES soc_test.cpp + ../soc.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/global_function.cpp + ../../../source_base/global_file.cpp + ../../../source_base/tool_quit.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/global_file.cpp + ../../../source_base/memory_recorder.cpp + ../../../source_base/timer.cpp + ../../../source_base/module_external/blas_connector_base.cpp + ../../../source_base/module_external/blas_connector_vector.cpp + ../../../source_base/module_external/blas_connector_matrix.cpp + ../../../source_base/parallel_global.cpp + ../../../source_base/parallel_comm.cpp + ../../../source_base/parallel_common.cpp + ../../../source_base/parallel_reduce.cpp) addtest( - TARGET - MODULE_PW_dftu_base_test - LIBS - parameter - base - device - SOURCES - dftu_base_test.cpp - ../dftu_base.cpp - ../dftu_base_io.cpp - ../dftu_base_io_read.cpp - ../dftu_base_io_write.cpp - ../dftu_pw_tools.cpp - ../yukawa_screening.cpp - ../../../source_estate/occ_matrix.cpp - ../../../source_estate/occ_mixer.cpp - ../../../source_cell/unitcell.cpp - ../../../source_cell/unitcell_index.cpp - ../../../source_cell/unitcell_stats.cpp - ../../../source_cell/unitcell_setup.cpp - ../../../source_cell/atom_spec.cpp - ../../../source_cell/atom_pseudo.cpp - ../../../source_cell/pseudo.cpp - ../../../source_cell/magnetism.cpp - ../../../source_cell/sep.cpp - ../../../source_cell/sep_cell.cpp - ../../../source_cell/read_atom_species.cpp - ../../../source_cell/read_atoms.cpp - ../../../source_cell/read_atoms_helper.cpp - ../../../source_cell/cell_tools.cpp - ../../../source_cell/print_cell.cpp - ../../../source_cell/read_orb.cpp - ../../../source_cell/read_stru.cpp - ../../../source_cell/bcast_cell.cpp) + TARGET MODULE_PW_dftu_base_test + LIBS parameter base device + SOURCES dftu_base_test.cpp + ../dftu_base.cpp + ../dftu_base_io.cpp + ../dftu_base_io_read.cpp + ../dftu_base_io_write.cpp + ../dftu_pw_tools.cpp + ../yukawa_screening.cpp + ../../../source_estate/occ_matrix.cpp + ../../../source_estate/occ_mixer.cpp + ../../../source_cell/unitcell.cpp + ../../../source_cell/unitcell_index.cpp + ../../../source_cell/unitcell_stats.cpp + ../../../source_cell/unitcell_setup.cpp + ../../../source_cell/atom_spec.cpp + ../../../source_cell/atom_pseudo.cpp + ../../../source_cell/pseudo.cpp + ../../../source_cell/magnetism.cpp + ../../../source_cell/sep.cpp + ../../../source_cell/sep_cell.cpp + ../../../source_cell/read_atom_species.cpp + ../../../source_cell/read_atoms.cpp + ../../../source_cell/read_atoms_helper.cpp + ../../../source_cell/cell_tools.cpp + ../../../source_cell/print_cell.cpp + ../../../source_cell/read_orb.cpp + ../../../source_cell/read_stru.cpp + ../../../source_cell/bcast_cell.cpp) addtest( - TARGET - MODULE_PW_test_dftu_pw_tools - LIBS - parameter - base - device - SOURCES - test_dftu_pw_tools.cpp - ../dftu_pw_tools.cpp) + TARGET MODULE_PW_test_dftu_pw_tools + LIBS parameter base device + SOURCES test_dftu_pw_tools.cpp ../dftu_pw_tools.cpp) addtest( - TARGET - MODULE_PW_structure_factor_test - LIBS - parameter - base - device - planewave - SOURCES - structure_factor_test.cpp - ../stru_fac.cpp - ../../../source_cell/unitcell.cpp - ../../../source_cell/unitcell_index.cpp - ../../../source_cell/unitcell_stats.cpp - ../../../source_cell/unitcell_setup.cpp - ../../../source_cell/update_cell.cpp - ../../../source_cell/bcast_cell.cpp - ../../../source_cell/print_cell.cpp - ../../../source_cell/atom_spec.cpp - ../../../source_cell/atom_pseudo.cpp - ../../../source_cell/pseudo.cpp - ../../../source_cell/read_stru.cpp - ../../../source_cell/read_atom_species.cpp - ../../../source_cell/read_atoms.cpp - ../../../source_cell/read_atoms_helper.cpp - ../../../source_cell/cell_tools.cpp - ../../../source_cell/read_pp.cpp - ../../../source_cell/read_pp_complete.cpp - ../../../source_cell/read_pp_upf100.cpp - ../../../source_cell/read_pp_upf201.cpp - ../../../source_cell/read_pp_vwr.cpp - ../../../source_cell/read_pp_blps.cpp - ../../../source_cell/sep.cpp - ../../../source_cell/sep_cell.cpp - ../../../source_cell/read_pp_ucell.cpp - ../../../source_cell/cal_wfc.cpp - ../../../source_cell/cal_nelec_nband.cpp - ../../../source_cell/read_orb.cpp) + TARGET MODULE_PW_structure_factor_test + LIBS parameter base device planewave + SOURCES structure_factor_test.cpp + ../stru_fac.cpp + ../../../source_cell/unitcell.cpp + ../../../source_cell/unitcell_index.cpp + ../../../source_cell/unitcell_stats.cpp + ../../../source_cell/unitcell_setup.cpp + ../../../source_cell/update_cell.cpp + ../../../source_cell/bcast_cell.cpp + ../../../source_cell/print_cell.cpp + ../../../source_cell/atom_spec.cpp + ../../../source_cell/atom_pseudo.cpp + ../../../source_cell/pseudo.cpp + ../../../source_cell/read_stru.cpp + ../../../source_cell/read_atom_species.cpp + ../../../source_cell/read_atoms.cpp + ../../../source_cell/read_atoms_helper.cpp + ../../../source_cell/cell_tools.cpp + ../../../source_cell/read_pp.cpp + ../../../source_cell/read_pp_complete.cpp + ../../../source_cell/read_pp_upf100.cpp + ../../../source_cell/read_pp_upf201.cpp + ../../../source_cell/read_pp_vwr.cpp + ../../../source_cell/read_pp_blps.cpp + ../../../source_cell/sep.cpp + ../../../source_cell/sep_cell.cpp + ../../../source_cell/read_pp_ucell.cpp + ../../../source_cell/cal_wfc.cpp + ../../../source_cell/cal_nelec_nband.cpp + ../../../source_cell/read_orb.cpp) addtest( - TARGET - MODULE_PW_pw_hybrid_source - LIBS - base - device - SOURCES - test_pw_hybrid_source.cpp - ../pw_hybrid_source.cpp) + TARGET MODULE_PW_pw_hybrid_source + LIBS base device + SOURCES test_pw_hybrid_source.cpp ../pw_hybrid_source.cpp) diff --git a/source/source_pw/module_stodft/test/CMakeLists.txt b/source/source_pw/module_stodft/test/CMakeLists.txt index 07d8e07f60d..476c8d6c9b1 100644 --- a/source/source_pw/module_stodft/test/CMakeLists.txt +++ b/source/source_pw/module_stodft/test/CMakeLists.txt @@ -5,60 +5,38 @@ abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) addtest( - TARGET - MODULE_PW_Sto_Tool_UTs - LIBS - parameter - psi - base - device - SOURCES - ../sto_tool.cpp - test_sto_tool.cpp) + TARGET MODULE_PW_Sto_Tool_UTs + LIBS parameter psi base device + SOURCES ../sto_tool.cpp test_sto_tool.cpp) addtest( - TARGET - MODULE_PW_Sto_Hamilt_UTs - LIBS - parameter - psi - base - device - planewave_serial - symmetry - SOURCES - ../sto_hamilt_pw.cpp - test_sto_hamilt_pw.cpp - ../../../source_hamilt/operator.cpp - ../../../source_cell/klist.cpp - ../../../source_cell/klist_io.cpp - ../../../source_cell/parallel_kpoints.cpp - ../../../source_cell/reciprocal_grid.cpp) + TARGET MODULE_PW_Sto_Hamilt_UTs + LIBS parameter psi base device planewave_serial symmetry + SOURCES ../sto_hamilt_pw.cpp + test_sto_hamilt_pw.cpp + ../../../source_hamilt/operator.cpp + ../../../source_cell/klist.cpp + ../../../source_cell/klist_io.cpp + ../../../source_cell/parallel_kpoints.cpp + ../../../source_cell/reciprocal_grid.cpp) addtest( - TARGET - MODULE_PW_Sto_HSolver_UTs - LIBS - parameter - psi - device - base - container - MPI::MPI_CXX + TARGET MODULE_PW_Sto_HSolver_UTs + LIBS parameter psi device base container MPI::MPI_CXX SOURCES - test_sto_hsolver_pw.cpp - ../sto_hsolver_pw.cpp - ../../../source_hsolver/hsolver_pw.cpp - ../../../source_hsolver/diago_bpcg.cpp - ../../../source_hsolver/diago_dav_subspace.cpp - ../../../source_hsolver/diag_const_nums.cpp - ../../../source_hsolver/diago_iter_assist.cpp - ../../../source_hsolver/para_lin_tf.cpp - ../../../source_estate/elecstate_tools.cpp - ../../../source_estate/occupy.cpp - ../../../source_base/module_fft/fft_bundle.cpp - ../../../source_base/module_fft/fft_cpu.cpp - # This test calls MPI_Init in main() and its mocks take MPI_Comm arguments - # unconditionally, so it must keep __MPI even though this directory disables it. - KEEP_FEATURE_DEFINITIONS - __MPI) + test_sto_hsolver_pw.cpp + ../sto_hsolver_pw.cpp + ../../../source_hsolver/hsolver_pw.cpp + ../../../source_hsolver/diago_bpcg.cpp + ../../../source_hsolver/diago_dav_subspace.cpp + ../../../source_hsolver/diag_const_nums.cpp + ../../../source_hsolver/diago_iter_assist.cpp + ../../../source_hsolver/para_lin_tf.cpp + ../../../source_estate/elecstate_tools.cpp + ../../../source_estate/occupy.cpp + ../../../source_base/module_fft/fft_bundle.cpp + ../../../source_base/module_fft/fft_cpu.cpp + # This test calls MPI_Init in main() and its mocks take MPI_Comm arguments + # unconditionally, so it must keep __MPI even though this directory disables it. + KEEP_FEATURE_DEFINITIONS + __MPI) diff --git a/source/source_relax/unittests/CMakeLists.txt b/source/source_relax/unittests/CMakeLists.txt index 30eaa2b1f76..ff6a3f0d50a 100644 --- a/source/source_relax/unittests/CMakeLists.txt +++ b/source/source_relax/unittests/CMakeLists.txt @@ -5,10 +5,11 @@ abacus_disable_feature_definitions(__CUDA) abacus_disable_feature_definitions(__ROCM) addtest(TARGET MODULE_RELAX_socket_ipi_test SOURCES test_socket_ipi.cpp - ../socket_ipi.cpp) + ../socket_ipi.cpp) -addtest(TARGET MODULE_RELAX_socket_frame_test SOURCES test_socket_frame.cpp - ../socket_frame.cpp ../socket_frame_utils.cpp) +addtest(TARGET MODULE_RELAX_socket_frame_test + SOURCES test_socket_frame.cpp ../socket_frame.cpp + ../socket_frame_utils.cpp) set(socket_json_sources) if(ENABLE_JSON) @@ -17,299 +18,188 @@ if(ENABLE_JSON) endif() addtest( - TARGET - MODULE_RELAX_socket_driver_test - LIBS - MPI::MPI_CXX - base - device - KEEP_FEATURE_DEFINITIONS - __MPI - SOURCES - test_socket_driver.cpp - ../socket_driver.cpp - ../socket_utils.cpp - ../socket_handlers.cpp - ../socket_frame_utils.cpp - ../socket_frame.cpp - ../socket_ipi.cpp - ../../source_cell/update_cell.cpp - ../../source_cell/bcast_cell.cpp - ${socket_json_sources}) + TARGET MODULE_RELAX_socket_driver_test + LIBS MPI::MPI_CXX base device KEEP_FEATURE_DEFINITIONS __MPI + SOURCES test_socket_driver.cpp + ../socket_driver.cpp + ../socket_utils.cpp + ../socket_handlers.cpp + ../socket_frame_utils.cpp + ../socket_frame.cpp + ../socket_ipi.cpp + ../../source_cell/update_cell.cpp + ../../source_cell/bcast_cell.cpp + ${socket_json_sources}) set_tests_properties(MODULE_RELAX_socket_driver_test PROPERTIES TIMEOUT 15) addtest( - TARGET - MODULE_RELAX_line_search_test - LIBS - parameter - SOURCES - test_line_search.cpp - ../line_search.cpp - ../../source_base/global_variable.cpp - ../../source_base/global_file.cpp - ../../source_base/global_function.cpp - ../../source_base/timer.cpp - ../../source_base/tool_quit.cpp) + TARGET MODULE_RELAX_line_search_test + LIBS parameter + SOURCES test_line_search.cpp + ../line_search.cpp + ../../source_base/global_variable.cpp + ../../source_base/global_file.cpp + ../../source_base/global_function.cpp + ../../source_base/timer.cpp + ../../source_base/tool_quit.cpp) addtest(TARGET MODULE_RELAX_matrix_methods_test SOURCES test_matrix_methods.cpp - ../matrix_methods.cpp) - -addtest( - TARGET - MODULE_RELAX_cg_base_test - LIBS - parameter - SOURCES - test_cg_base.cpp - ../cg_base.cpp - ../../source_base/global_variable.cpp - ../../source_base/global_file.cpp - ../../source_base/global_function.cpp - ../../source_base/timer.cpp - ../../source_base/tool_quit.cpp - ../../source_base/tool_title.cpp) - -addtest( - TARGET - MODULE_RELAX_relax_sync_test - SOURCES - test_relax_sync.cpp - ../relax_sync.cpp - ../line_search.cpp - ../relax_data.cpp - ../../source_base/tool_quit.cpp - ../../source_base/global_variable.cpp - ../../source_base/global_file.cpp - ../../source_base/timer.cpp - ../../source_base/matrix3.cpp - ../../source_base/intarray.cpp - ../../source_base/tool_title.cpp - ../../source_base/global_function.cpp - ../../source_base/matrix.cpp - ../../source_base/complexarray.cpp - ../../source_base/realarray.cpp - ../../source_base/module_external/blas_connector_base.cpp - ../../source_base/module_external/blas_connector_vector.cpp - ../../source_base/module_external/blas_connector_matrix.cpp - ../../source_cell/update_cell.cpp - ../../source_cell/print_cell.cpp - ../../source_cell/bcast_cell.cpp - ../../source_base/output.cpp - LIBS - parameter) + ../matrix_methods.cpp) + +addtest( + TARGET MODULE_RELAX_cg_base_test + LIBS parameter + SOURCES test_cg_base.cpp + ../cg_base.cpp + ../../source_base/global_variable.cpp + ../../source_base/global_file.cpp + ../../source_base/global_function.cpp + ../../source_base/timer.cpp + ../../source_base/tool_quit.cpp + ../../source_base/tool_title.cpp) + +addtest( + TARGET MODULE_RELAX_relax_sync_test + SOURCES test_relax_sync.cpp + ../relax_sync.cpp + ../line_search.cpp + ../relax_data.cpp + ../../source_base/tool_quit.cpp + ../../source_base/global_variable.cpp + ../../source_base/global_file.cpp + ../../source_base/timer.cpp + ../../source_base/matrix3.cpp + ../../source_base/intarray.cpp + ../../source_base/tool_title.cpp + ../../source_base/global_function.cpp + ../../source_base/matrix.cpp + ../../source_base/complexarray.cpp + ../../source_base/realarray.cpp + ../../source_base/module_external/blas_connector_base.cpp + ../../source_base/module_external/blas_connector_vector.cpp + ../../source_base/module_external/blas_connector_matrix.cpp + ../../source_cell/update_cell.cpp + ../../source_cell/print_cell.cpp + ../../source_cell/bcast_cell.cpp + ../../source_base/output.cpp + LIBS parameter) list(APPEND cell_source_files ../../source_cell/update_cell.cpp ../../source_cell/bcast_cell.cpp ../../source_cell/print_cell.cpp) addtest( - TARGET - MODULE_RELAX_lat_change_method_test - LIBS - parameter - base - device - SOURCES - test_lat_change_method.cpp - ../lat_change_method.cpp - ../lattice_change_basic.cpp - ../relax_data.cpp - mock_remake_cell.cpp) + TARGET MODULE_RELAX_lat_change_method_test + LIBS parameter base device + SOURCES test_lat_change_method.cpp ../lat_change_method.cpp + ../lattice_change_basic.cpp ../relax_data.cpp mock_remake_cell.cpp) addtest( - TARGET - MODULE_RELAX_lattice_change_basic_test - LIBS - parameter - base - device - SOURCES - test_lattice_change_basic.cpp - ../lattice_change_basic.cpp - ../relax_data.cpp - mock_remake_cell.cpp) + TARGET MODULE_RELAX_lattice_change_basic_test + LIBS parameter base device + SOURCES test_lattice_change_basic.cpp ../lattice_change_basic.cpp + ../relax_data.cpp mock_remake_cell.cpp) addtest( - TARGET - MODULE_RELAX_lattice_change_cg_test - LIBS - parameter - base - device - SOURCES - test_lattice_change_cg.cpp - ../lattice_change_cg.cpp - ../lattice_change_basic.cpp - ../cg_base.cpp - ../relax_data.cpp - mock_remake_cell.cpp) + TARGET MODULE_RELAX_lattice_change_cg_test + LIBS parameter base device + SOURCES test_lattice_change_cg.cpp ../lattice_change_cg.cpp + ../lattice_change_basic.cpp ../cg_base.cpp ../relax_data.cpp + mock_remake_cell.cpp) addtest( - TARGET - MODULE_RELAX_bfgs_basic_test - LIBS - parameter - base - device - symmetry - SOURCES - test_bfgs_basic.cpp - ../bfgs_basic.cpp - ../relax_data.cpp - ../ions_move_basic.cpp - ${cell_source_files}) + TARGET MODULE_RELAX_bfgs_basic_test + LIBS parameter base device symmetry + SOURCES test_bfgs_basic.cpp ../bfgs_basic.cpp ../relax_data.cpp + ../ions_move_basic.cpp ${cell_source_files}) addtest( - TARGET - MODULE_RELAX_ions_move_bfgs2_test - LIBS - parameter - base - device - SOURCES - test_ions_move_bfgs2.cpp - ../ions_move_bfgs2.cpp - ../ions_move_basic.cpp - ../matrix_methods.cpp - ../relax_data.cpp - ${cell_source_files}) + TARGET MODULE_RELAX_ions_move_bfgs2_test + LIBS parameter base device + SOURCES test_ions_move_bfgs2.cpp ../ions_move_bfgs2.cpp + ../ions_move_basic.cpp ../matrix_methods.cpp ../relax_data.cpp + ${cell_source_files}) addtest( - TARGET - MODULE_RELAX_ions_move_basic_test - LIBS - parameter - base - device - SOURCES - test_ions_move_basic.cpp - ../ions_move_basic.cpp - ../relax_data.cpp - ${cell_source_files}) + TARGET MODULE_RELAX_ions_move_basic_test + LIBS parameter base device + SOURCES test_ions_move_basic.cpp ../ions_move_basic.cpp ../relax_data.cpp + ${cell_source_files}) addtest( - TARGET - MODULE_RELAX_ions_move_bfgs_test - LIBS - parameter - base - device - SOURCES - test_ions_move_bfgs.cpp - ../ions_move_bfgs.cpp - ../ions_move_basic.cpp - ../bfgs_basic.cpp - ../relax_data.cpp - ${cell_source_files}) + TARGET MODULE_RELAX_ions_move_bfgs_test + LIBS parameter base device + SOURCES test_ions_move_bfgs.cpp ../ions_move_bfgs.cpp ../ions_move_basic.cpp + ../bfgs_basic.cpp ../relax_data.cpp ${cell_source_files}) addtest( - TARGET - MODULE_RELAX_ions_move_methods_test - LIBS - parameter - base - device - SOURCES - test_ions_move_methods.cpp - ../ions_move_methods.cpp - ../ions_move_bfgs.cpp - ../ions_move_bfgs2.cpp - ../ions_move_cg.cpp - ../ions_move_sd.cpp - ../ions_move_lbfgs.cpp - ../ions_move_basic.cpp - ../bfgs_basic.cpp - ../cg_base.cpp - ../matrix_methods.cpp - ../relax_data.cpp - ../../source_cell/bcast_cell.cpp - ../../source_cell/print_cell.cpp) + TARGET MODULE_RELAX_ions_move_methods_test + LIBS parameter base device + SOURCES test_ions_move_methods.cpp + ../ions_move_methods.cpp + ../ions_move_bfgs.cpp + ../ions_move_bfgs2.cpp + ../ions_move_cg.cpp + ../ions_move_sd.cpp + ../ions_move_lbfgs.cpp + ../ions_move_basic.cpp + ../bfgs_basic.cpp + ../cg_base.cpp + ../matrix_methods.cpp + ../relax_data.cpp + ../../source_cell/bcast_cell.cpp + ../../source_cell/print_cell.cpp) addtest( - TARGET - MODULE_RELAX_ions_move_cg_test - LIBS - parameter - base - device - SOURCES - test_ions_move_cg.cpp - ../ions_move_cg.cpp - ../cg_base.cpp - ../ions_move_basic.cpp - ../relax_data.cpp - ${cell_source_files}) + TARGET MODULE_RELAX_ions_move_cg_test + LIBS parameter base device + SOURCES test_ions_move_cg.cpp ../ions_move_cg.cpp ../cg_base.cpp + ../ions_move_basic.cpp ../relax_data.cpp ${cell_source_files}) addtest( - TARGET - MODULE_RELAX_ions_move_sd_test - LIBS - parameter - base - device - SOURCES - test_ions_move_sd.cpp - ../ions_move_sd.cpp - ../ions_move_basic.cpp - ../relax_data.cpp - ${cell_source_files}) + TARGET MODULE_RELAX_ions_move_sd_test + LIBS parameter base device + SOURCES test_ions_move_sd.cpp ../ions_move_sd.cpp ../ions_move_basic.cpp + ../relax_data.cpp ${cell_source_files}) addtest(TARGET MODULE_RELAX_relax_history_test SOURCES test_relax_history.cpp) addtest( - TARGET - MODULE_RELAX_relax_stru_io_test - LIBS - parameter - base - device - SOURCES - test_relax_stru_io.cpp - ../relax_stru_io.cpp - ../../source_cell/print_cell.cpp - ../../source_cell/cif_io.cpp - ../../source_cell/bcast_cell.cpp) - -addtest( - TARGET - MODULE_RELAX_ions_move_lbfgs_test - LIBS - parameter - base - device - SOURCES - test_ions_move_lbfgs.cpp - ../ions_move_lbfgs.cpp - ../ions_move_basic.cpp - ../matrix_methods.cpp - ../relax_data.cpp - ../../source_cell/bcast_cell.cpp - ../../source_cell/print_cell.cpp) - -addtest( - TARGET - MODULE_RELAX_relax_nsync_test - LIBS - parameter - base - device - SOURCES - test_relax_nsync.cpp - ../relax_nsync.cpp - ../ions_move_methods.cpp - ../ions_move_bfgs.cpp - ../ions_move_bfgs2.cpp - ../ions_move_cg.cpp - ../ions_move_sd.cpp - ../ions_move_lbfgs.cpp - ../ions_move_basic.cpp - ../bfgs_basic.cpp - ../cg_base.cpp - ../matrix_methods.cpp - ../relax_data.cpp - ../lat_change_method.cpp - ../lattice_change_basic.cpp - ../lattice_change_cg.cpp - ../../source_cell/cell_tools.cpp - mock_remake_cell.cpp - ../../source_cell/bcast_cell.cpp - ../../source_cell/print_cell.cpp) + TARGET MODULE_RELAX_relax_stru_io_test + LIBS parameter base device + SOURCES test_relax_stru_io.cpp ../relax_stru_io.cpp + ../../source_cell/print_cell.cpp ../../source_cell/cif_io.cpp + ../../source_cell/bcast_cell.cpp) + +addtest( + TARGET MODULE_RELAX_ions_move_lbfgs_test + LIBS parameter base device + SOURCES test_ions_move_lbfgs.cpp + ../ions_move_lbfgs.cpp + ../ions_move_basic.cpp + ../matrix_methods.cpp + ../relax_data.cpp + ../../source_cell/bcast_cell.cpp + ../../source_cell/print_cell.cpp) + +addtest( + TARGET MODULE_RELAX_relax_nsync_test + LIBS parameter base device + SOURCES test_relax_nsync.cpp + ../relax_nsync.cpp + ../ions_move_methods.cpp + ../ions_move_bfgs.cpp + ../ions_move_bfgs2.cpp + ../ions_move_cg.cpp + ../ions_move_sd.cpp + ../ions_move_lbfgs.cpp + ../ions_move_basic.cpp + ../bfgs_basic.cpp + ../cg_base.cpp + ../matrix_methods.cpp + ../relax_data.cpp + ../lat_change_method.cpp + ../lattice_change_basic.cpp + ../lattice_change_cg.cpp + ../../source_cell/cell_tools.cpp + mock_remake_cell.cpp + ../../source_cell/bcast_cell.cpp + ../../source_cell/print_cell.cpp)