From 84a2a949777d30b02083f3b9e381d961bec4f32a Mon Sep 17 00:00:00 2001 From: Gengze Lin <270161683+GenZeal-Lin@users.noreply.github.com> Date: Sun, 25 Oct 2026 12:09:21 +0800 Subject: [PATCH] test: add LibXC and noncollinear Gint CUDA regression cases --- .github/workflows/cuda.yml | 2 +- tests/02_NAO_Gamma/CASES_GPU.txt | 1 + tests/03_NAO_multik/CASES_GPU.txt | 3 +++ 3 files changed, 5 insertions(+), 1 deletion(-) diff --git a/.github/workflows/cuda.yml b/.github/workflows/cuda.yml index 09b9348c02c..3ed2cd15224 100644 --- a/.github/workflows/cuda.yml +++ b/.github/workflows/cuda.yml @@ -77,7 +77,7 @@ jobs: nvidia-smi source toolchain/install/setup rm -rf build - cmake -B build -G Ninja -DUSE_CUDA=ON -DBUILD_TESTING=ON -DENABLE_FLOAT_FFTW=ON \ + cmake -B build -G Ninja -DUSE_CUDA=ON -DENABLE_LIBXC=ON -DBUILD_TESTING=ON -DENABLE_FLOAT_FFTW=ON \ -DENABLE_GOOGLEBENCH=OFF \ -DCMAKE_CUDA_ARCHITECTURES=70 cmake --build build -j "$(nproc)" diff --git a/tests/02_NAO_Gamma/CASES_GPU.txt b/tests/02_NAO_Gamma/CASES_GPU.txt index eaabc464997..b7b5ea5a185 100644 --- a/tests/02_NAO_Gamma/CASES_GPU.txt +++ b/tests/02_NAO_Gamma/CASES_GPU.txt @@ -38,3 +38,4 @@ scf_u_spin2 scf_upf100 test.sum scf_si2_tzdp_neq_spin2_gpu +scf_metagga diff --git a/tests/03_NAO_multik/CASES_GPU.txt b/tests/03_NAO_multik/CASES_GPU.txt index 9af18cd71e9..cb881d08d99 100644 --- a/tests/03_NAO_multik/CASES_GPU.txt +++ b/tests/03_NAO_multik/CASES_GPU.txt @@ -67,3 +67,6 @@ get_pchg get_pchg_k get_s scf_bisecuo_gpu +scf_out_chg_tau +scf_nspin4_nsoc_hr +scf_nspin4_soc_hr