diff --git a/.github/workflows/mypy.yml b/.github/workflows/mypy.yml index 54c9171..f7c15b1 100644 --- a/.github/workflows/mypy.yml +++ b/.github/workflows/mypy.yml @@ -9,7 +9,7 @@ on: - "pytensor_ml/**" - "scripts/run_mypy.py" - "pyproject.toml" - - "conda_envs/**" + - "pixi.lock" # Cancels all previous workflow runs for pull requests that have not completed. concurrency: @@ -20,38 +20,15 @@ jobs: mypy: runs-on: ubuntu-latest - defaults: - run: - shell: bash -l {0} - steps: - uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1 # v7.0.1 - - uses: actions/cache@55cc8345863c7cc4c66a329aec7e433d2d1c52a9 # v6.1.0 - env: - CACHE_NUMBER: 0 - with: - path: ~/conda_pkgs_dir - key: ${{ runner.os }}-py312-conda-${{ env.CACHE_NUMBER }}-${{ - hashFiles('conda_envs/pytensor_ml.yml') }} - - uses: conda-incubator/setup-miniconda@8ee1f361103df19b6f8c8655fd3967a8ecb162d5 # v4.0.1 + - uses: prefix-dev/setup-pixi@9dabb60412d3d2d967a8d682f7ce01317af40514 # v0.11.0 with: - miniforge-variant: Miniforge3 - miniforge-version: latest - mamba-version: "*" - activate-environment: pytensor_ml - channel-priority: strict - environment-file: conda_envs/pytensor_ml.yml - python-version: 3.12 - use-mamba: true - use-only-tar-bz2: false - - - name: Install current branch - run: | - conda activate pytensor_ml - pip install -e . - python --version + pixi-version: v0.81.0 + environments: mypy + activate-environment: true + locked: true + cache: true - name: Run mypy - run: | - conda activate pytensor_ml - python ./scripts/run_mypy.py + run: python ./scripts/run_mypy.py diff --git a/.github/workflows/pre-commit.yml b/.github/workflows/pre-commit.yml index 8a2c9e9..600f881 100644 --- a/.github/workflows/pre-commit.yml +++ b/.github/workflows/pre-commit.yml @@ -13,4 +13,9 @@ jobs: steps: - uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1 # v7.0.1 - uses: actions/setup-python@5fda3b95a4ea91299a34e894583c3862153e4b97 # v7.0.0 + # The pixi hooks call pixi directly and need no environment installed. + - uses: prefix-dev/setup-pixi@9dabb60412d3d2d967a8d682f7ce01317af40514 # v0.11.0 + with: + pixi-version: v0.81.0 + run-install: false - uses: pre-commit/action@2c7b3805fd2a0fd8c1884dcaebf91fc102a13ecd # v3.0.1 diff --git a/.github/workflows/run_tests.yml b/.github/workflows/run_tests.yml index 115b9b8..13c994f 100644 --- a/.github/workflows/run_tests.yml +++ b/.github/workflows/run_tests.yml @@ -14,17 +14,14 @@ concurrency: jobs: unittest: - name: unittest (${{ matrix.os }}, ${{ matrix.python-version }}, ${{ matrix.test-subset.name }}) + name: unittest (${{ matrix.os }}, ${{ matrix.test-subset.name }}) strategy: fail-fast: false matrix: os: [ubuntu-latest] - python-version: ["3.12"] - # Off by default, flipped to 1 by the per-backend jobs under `include`. A core job installs no - # backend at all, which is what proves the library runs without one. - install-jax: [0] - install-mlx: [0] - install-torch: [0] + # The per-backend jobs under `include` swap in an environment carrying their one backend. A core + # job's environment has no backend at all, which is what proves the library runs without one. + pixi-environment: [test] # Groups are balanced on measured cold-compile-cache time, which is what a fresh runner pays. # tests/test_workflow_groups.py fails if a test file is missing from every group or listed twice. test-subset: @@ -72,25 +69,22 @@ jobs: # `test-subset` because a matrix entry cannot change `os`, and mlx needs macOS. include: - os: ubuntu-latest - python-version: "3.12" - install-jax: 1 + pixi-environment: test-jax test-subset: name: dispatch-jax paths: tests/dispatch/jax/ - os: macos-15 - python-version: "3.12" - install-mlx: 1 + pixi-environment: test-mlx test-subset: name: dispatch-mlx paths: tests/dispatch/mlx/ - os: ubuntu-latest - python-version: "3.12" - install-torch: 1 + pixi-environment: test-torch test-subset: name: dispatch-torch paths: tests/dispatch/pytorch/ - os: windows-latest - python-version: "3.12" + pixi-environment: test test-subset: name: smoke paths: | @@ -103,73 +97,28 @@ jobs: env: TEST_SUBSET: ${{ matrix.test-subset.paths }} - defaults: - run: - shell: bash -l {0} - steps: - uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1 # v7.0.1 - - uses: actions/cache@55cc8345863c7cc4c66a329aec7e433d2d1c52a9 # v6.1.0 - env: - CACHE_NUMBER: 0 - with: - path: ~/conda_pkgs_dir - key: ${{ runner.os }}-py${{matrix.python-version}}-conda-${{ env.CACHE_NUMBER }}-${{ - hashFiles('conda_envs/pytensor_ml.yml') }} - - name: Cache multiple paths - uses: actions/cache@55cc8345863c7cc4c66a329aec7e433d2d1c52a9 # v6.1.0 - env: - # Increase this value to reset cache if pyproject.toml has not changed - CACHE_NUMBER: 0 + - uses: prefix-dev/setup-pixi@9dabb60412d3d2d967a8d682f7ce01317af40514 # v0.11.0 with: - path: | - ~/.cache/pip - $RUNNER_TOOL_CACHE/Python/* - ~\AppData\Local\pip\Cache - key: ${{ runner.os }}-build-${{ matrix.python-version }}-${{ env.CACHE_NUMBER }}-${{ - hashFiles('pyproject.toml') }} + pixi-version: v0.81.0 + environments: ${{ matrix.pixi-environment }} + activate-environment: true + locked: true + cache: true - name: Cache the pytensor compile directory uses: actions/cache@55cc8345863c7cc4c66a329aec7e433d2d1c52a9 # v6.1.0 env: CACHE_NUMBER: 0 with: path: ~/.pytensor - key: ${{ runner.os }}-py${{ matrix.python-version }}-pytensor-${{ env.CACHE_NUMBER }}-${{ - matrix.test-subset.name }}-${{ hashFiles('conda_envs/pytensor_ml.yml') }} + key: ${{ runner.os }}-pytensor-${{ env.CACHE_NUMBER }}-${{ + matrix.test-subset.name }}-${{ hashFiles('pixi.lock') }} restore-keys: | - ${{ runner.os }}-py${{ matrix.python-version }}-pytensor-${{ env.CACHE_NUMBER }}-${{ matrix.test-subset.name }}- - - uses: conda-incubator/setup-miniconda@8ee1f361103df19b6f8c8655fd3967a8ecb162d5 # v4.0.1 - with: - miniforge-variant: Miniforge3 - miniforge-version: latest - mamba-version: "*" - activate-environment: pytensor_ml - channel-priority: strict - environment-file: conda_envs/pytensor_ml.yml - python-version: 3.12 - use-mamba: true - - # IMPORTANT: This may break caching of conda packages! See https://github.com/conda-incubator/setup-miniconda/issues/267 - use-only-tar-bz2: false - - - name: Install the backend this job tests - run: | - conda activate pytensor_ml - if [[ $INSTALL_JAX == "1" ]]; then pip install "jax>=0.8,<0.9.1" jaxlib; fi - if [[ $INSTALL_MLX == "1" ]]; then pip install "mlx>=0.32.2,<0.33"; fi - if [[ $INSTALL_TORCH == "1" ]]; then pip install torch --index-url https://download.pytorch.org/whl/cpu; fi - env: - INSTALL_JAX: ${{ matrix.install-jax }} - INSTALL_MLX: ${{ matrix.install-mlx }} - INSTALL_TORCH: ${{ matrix.install-torch }} - - - name: Install current branch - run: | - conda activate pytensor_ml - pip install -e . - python --version + ${{ runner.os }}-pytensor-${{ env.CACHE_NUMBER }}-${{ matrix.test-subset.name }}- - name: Run tests + shell: bash run: | python -m pytest -vv --durations=25 --cov=pytensor_ml --cov-report=xml --no-cov-on-fail --cov-report term $TEST_SUBSET - name: Upload coverage to Codecov diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 41bc9c8..1676023 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -32,6 +32,31 @@ repos: - repo: local hooks: + - id: pixi-lock-check + name: pixi.lock is in sync with pyproject.toml + entry: pixi lock --check + language: system + files: ^(pyproject\.toml|pixi\.lock)$ + pass_filenames: false + + - id: pixi-export-dev + name: conda_envs/pytensor_ml.yml is exported from the pixi dev environment + # Called directly rather than through a pixi task so the hook reads the manifest only; `pixi run` + # would re-solve the lock file and install the environment first. --no-pypi drops the editable + # install, because conda runs pip from the env file's directory, where `-e .` names conda_envs/. + # -p pins the export to one platform, so it does not depend on the machine running the hook. + entry: pixi workspace export conda-environment -e dev -n pytensor_ml -p linux-64 --no-pypi conda_envs/pytensor_ml.yml + language: system + files: ^(pyproject\.toml|pixi\.lock|conda_envs/pytensor_ml\.yml)$ + pass_filenames: false + + - id: pixi-export-docs + name: conda_envs/environment-docs.yml is exported from the pixi docs environment + entry: pixi workspace export conda-environment -e docs -n pytensor_ml-docs -p linux-64 --no-pypi conda_envs/environment-docs.yml + language: system + files: ^(pyproject\.toml|pixi\.lock|conda_envs/environment-docs\.yml)$ + pass_filenames: false + - id: notebook_name entry: '\(notebook_name\)=' language: pygrep diff --git a/conda_envs/environment-docs.yml b/conda_envs/environment-docs.yml index a6b7516..3554d89 100644 --- a/conda_envs/environment-docs.yml +++ b/conda_envs/environment-docs.yml @@ -1,35 +1,24 @@ -# The environment Read the Docs builds from. `pixi run docs-build` uses the equivalent list under -# [tool.pixi.feature.docs] in pyproject.toml; the two have to move together. name: pytensor_ml-docs channels: - - conda-forge - - nodefaults - +- conda-forge +- nodefaults dependencies: - - python>=3.12 - # Runtime deps: autodoc imports pytensor_ml, so the full runtime stack has to be in scope. - - pytensor>=3.3.3,<3.4.0 - - numpy - - safetensors - # The gallery extension renders notebook thumbnails with matplotlib. - - matplotlib - - # Docs build deps. - - ipython - - jupyter - - sphinx>=7 - - pydata-sphinx-theme - - myst-nb - - numpydoc - - sphinx-copybutton - - sphinx-design - - sphinx-codeautolink - - sphinx-sitemap - - sphinx-notfound-page - - sphinx-autobuild - - jupyter-sphinx - - sphinxcontrib-bibtex - - pip - - pip: - # pytensor_ml itself so autodoc resolves the current source tree. - - -e .. +- safetensors * +- matplotlib * +- ipython * +- jupyter * +- sphinx >=7 +- pydata-sphinx-theme * +- myst-nb * +- numpydoc * +- sphinx-copybutton * +- sphinx-design * +- sphinx-codeautolink * +- sphinx-sitemap * +- sphinx-notfound-page * +- sphinx-autobuild * +- jupyter-sphinx * +- sphinxcontrib-bibtex * +- pytensor >=3.3.3,<3.4.0 +- numpy * +- python >=3.12 diff --git a/conda_envs/pytensor_ml-gpu_jax.yml b/conda_envs/pytensor_ml-gpu_jax.yml index 5ed9891..28a0400 100644 --- a/conda_envs/pytensor_ml-gpu_jax.yml +++ b/conda_envs/pytensor_ml-gpu_jax.yml @@ -1,42 +1,22 @@ -name: pytensor_ml +name: pytensor_ml-gpu_jax channels: - - conda-forge - - nvidia - - nodefaults - +- conda-forge +- nodefaults dependencies: - - python>=3.12 - - pytensor>=3.3.3,<4.0.0 - - numpy - - scikit-learn - - # GPU Stuff - - jax - - numpyro - - blackjax - - jaxlib=*=*cuda* - - cuda-nvcc - - # For testing - - coveralls - - diff-cover - - pytest - - pytest-cov - - pytest-xdist - - pytest-benchmark - - pytest-mock - - # For building docs - - sphinx - - sphinx_rtd_theme - - pygments - - pydot - - ipython - - # code style - - ruff - - # developer tools - - pre-commit - - packaging - - typing_extensions +- safetensors * +- scikit-learn * +- cloudpickle * +- pytest * +- pytest-cov * +- pytest-xdist * +- pytest-benchmark * +- pytest-mock * +- pyyaml * +- mypy >=2.4.0,<2.5.0 +- pre-commit * +- jax >=0.12,<0.13 +- jaxlib >=0.12,<0.13 cuda* +- cuda-nvcc * +- pytensor >=3.3.3,<3.4.0 +- numpy * +- python >=3.12 diff --git a/conda_envs/pytensor_ml-gpu_metal.yml b/conda_envs/pytensor_ml-gpu_metal.yml new file mode 100644 index 0000000..945141d --- /dev/null +++ b/conda_envs/pytensor_ml-gpu_metal.yml @@ -0,0 +1,20 @@ +name: pytensor_ml-gpu_metal +channels: +- conda-forge +- nodefaults +dependencies: +- safetensors * +- scikit-learn * +- cloudpickle * +- pytest * +- pytest-cov * +- pytest-xdist * +- pytest-benchmark * +- pytest-mock * +- pyyaml * +- mypy >=2.4.0,<2.5.0 +- pre-commit * +- mlx >=0.32.4,<0.33 +- pytensor >=3.3.3,<3.4.0 +- numpy * +- python >=3.12 diff --git a/conda_envs/pytensor_ml.yml b/conda_envs/pytensor_ml.yml index e8924c7..1549e9a 100644 --- a/conda_envs/pytensor_ml.yml +++ b/conda_envs/pytensor_ml.yml @@ -1,32 +1,19 @@ name: pytensor_ml channels: - - conda-forge - - nodefaults - +- conda-forge +- nodefaults dependencies: - - python>=3.12 - - pytensor>=3.3.3,<3.4.0 - - numpy - - safetensors - - scikit-learn - - # For testing - - cloudpickle # tests/optim/test_composition.py ships a configured rule to a worker - - coveralls - - diff-cover - - pytest - - pytest-cov - - pytest-xdist - - pytest-benchmark - - pytest-mock - - pyyaml # tests/test_workflow_groups.py reads the CI matrix - - # developer tools - - pre-commit - # Pinned rather than floated: a local run that disagrees with CI about the version is a local run - # that cannot predict CI, and both of these have shipped errors the other version does not report. - - mypy>=2.3.1,<2.4.0 - - # No backend goes here. Each backend's dispatch tests get their own CI job that installs just that - # one, so the core jobs stay light and prove the library works with no backend present at all. - - pip +- safetensors * +- scikit-learn * +- cloudpickle * +- pytest * +- pytest-cov * +- pytest-xdist * +- pytest-benchmark * +- pytest-mock * +- pyyaml * +- mypy >=2.4.0,<2.5.0 +- pre-commit * +- pytensor >=3.3.3,<3.4.0 +- numpy * +- python >=3.12 diff --git a/docs/source/dev/contributing.rst b/docs/source/dev/contributing.rst index 5b20901..00433ff 100644 --- a/docs/source/dev/contributing.rst +++ b/docs/source/dev/contributing.rst @@ -18,13 +18,23 @@ Setting up pip install -e ".[dev]" pre-commit install -The conda environments under ``conda_envs/`` are what CI installs, pinned -harder than the package metadata. Reach for one when a failure reproduces in CI -but not locally: +CI installs the pixi environments locked in ``pixi.lock``, pinned harder than +the package metadata. Reach for one when a failure reproduces in CI but not +locally: + +.. code-block:: bash + + pixi run -e test pytest # the core jobs; test-jax, test-mlx, test-torch for a backend + pixi run -e mypy python scripts/run_mypy.py + +``conda_envs/pytensor_ml.yml`` is exported from the pixi ``dev`` environment by a +pre-commit hook, for setting up with conda instead: .. code-block:: bash conda env create -f conda_envs/pytensor_ml.yml + conda activate pytensor_ml + pip install -e . Docs are built with pixi, which owns its own environment: diff --git a/pixi.lock b/pixi.lock index d2734aa..ea89b3f 100644 --- a/pixi.lock +++ b/pixi.lock @@ -1,100 +1,564 @@ version: 7 platforms: - name: linux-64 + virtual-packages: + - __unix=0=0 + - __linux=4.18 + - __glibc=2.28 + - __archspec=0=x86_64 +- name: linux-64-cuda + subdir: linux-64 + virtual-packages: + - __cuda=12.9 + - __unix=0=0 + - __linux=4.18 + - __glibc=2.28 + - __archspec=0=x86_64 - name: osx-arm64 + virtual-packages: + - __unix=0=0 + - __osx=13.0 + - __archspec=0=m1 +- name: osx-arm64-mlx + subdir: osx-arm64 + virtual-packages: + - __osx=14.5 + - __unix=0=0 + - __archspec=0=m1 - name: win-64 + virtual-packages: + - __win=10.0 + - __archspec=0=x86_64 environments: default: channels: - url: https://conda.anaconda.org/conda-forge/ - indexes: - - https://pypi.org/simple packages: linux-64: - - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-20_gnu.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-8_kmp_llvm.conda + - 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Every +# environment gets every platform listed here unless a feature narrows it, so the environments that +# are not for a GPU take the cpu feature below. +platforms = [ + "osx-arm64", + "linux-64", + "win-64", + { name = "osx-arm64-mlx", platform = "osx-arm64", macos = "14.5" }, + { name = "linux-64-cuda", platform = "linux-64", cuda = "12.9" }, +] + +# Conda specs for the runtime dependencies, which pixi would otherwise install from PyPI wheels. +# With a named platform in the workspace, `pixi lock --check` checks those wheels against the wrong +# platform's virtual packages and fails at random: https://github.com/prefix-dev/pixi/issues/7040. +[tool.pixi.dependencies] +pytensor = ">=3.3.3,<3.4.0" +numpy = "*" + +# Listing a platform by its exact name excludes the named variants on the same platform. +[tool.pixi.feature.cpu] platforms = ["osx-arm64", "linux-64", "win-64"] # Autodoc imports pytensor_ml, so the docs environment needs the runtime stack alongside sphinx. -# Read the Docs cannot read a pixi environment, so it builds from conda_envs/environment-docs.yml; -# the two lists have to move together. +# Read the Docs cannot read a pixi environment, so it builds from conda_envs/environment-docs.yml, +# which a pre-commit hook exports from this one. [tool.pixi.feature.docs.dependencies] -python = ">=3.12" -pytensor = ">=3.3.3,<3.4.0" -numpy = "*" safetensors = "*" # The gallery extension renders notebook thumbnails with matplotlib. matplotlib = "*" @@ -199,5 +217,76 @@ docs-serve = { cmd = """\ --ignore '*/source/api/generated/*'\ """, cwd = "docs" } +# The run_tests and mypy workflows install from these. +[tool.pixi.feature.test.dependencies] +safetensors = "*" +scikit-learn = "*" +# tests/optim/test_composition.py ships a configured rule to a worker. +cloudpickle = "*" +pytest = "*" +pytest-cov = "*" +pytest-xdist = "*" +pytest-benchmark = "*" +pytest-mock = "*" +# tests/test_workflow_groups.py reads the CI matrix. +pyyaml = "*" + +[tool.pixi.feature.test.pypi-dependencies] +pytensor_ml = { path = ".", editable = true } + +# Each backend gets an environment of its own, so a dispatch job proves its backend works alone and +# the plain test environment proves the library runs with none. +[tool.pixi.feature.jax] +platforms = ["linux-64", "osx-arm64"] + +[tool.pixi.feature.jax.dependencies] +jax = ">=0.12,<0.13" +jaxlib = { version = ">=0.12,<0.13", build = "cpu*" } + +[tool.pixi.feature.mlx] +platforms = ["osx-arm64-mlx"] + +[tool.pixi.feature.mlx.dependencies] +mlx = ">=0.32.4,<0.33" + +# The CUDA build of jaxlib, for running on an NVIDIA GPU. The jax feature above stays CPU-only so CI +# never needs a GPU. +[tool.pixi.feature.jax-cuda] +platforms = ["linux-64-cuda"] + +[tool.pixi.feature.jax-cuda.dependencies] +jax = ">=0.12,<0.13" +jaxlib = { version = ">=0.12,<0.13", build = "cuda*" } +cuda-nvcc = "*" + +[tool.pixi.feature.torch] +platforms = ["linux-64", "osx-arm64"] + +[tool.pixi.feature.torch.dependencies] +pytorch = { version = "*", build = "cpu*" } + +# Pinned rather than floated: a local run that disagrees with CI about the version is a local run +# that cannot predict CI. +[tool.pixi.feature.mypy.dependencies] +mypy = ">=2.4.0,<2.5.0" + +# conda_envs/pytensor_ml.yml is exported from dev by a pre-commit hook, for contributors who set up +# with conda. The gpu-jax and gpu-metal files are kept by hand: `pixi workspace export +# conda-environment -p` takes only a bare subdir, and exporting for one drops the features bound to +# a named platform. A feature named `dev` would also pull in the `dev` extra from +# [project.optional-dependencies], jax with it. +[tool.pixi.feature.tools.dependencies] +pre-commit = "*" + [tool.pixi.environments] -docs = { features = ["docs"] } +default = { features = ["cpu"] } +docs = { features = ["cpu", "docs"] } +test = { features = ["cpu", "test"] } +test-jax = { features = ["cpu", "test", "jax"] } +test-mlx = { features = ["test", "mlx"] } +test-torch = { features = ["cpu", "test", "torch"] } +mypy = { features = ["cpu", "test", "mypy"] } +dev = { features = ["cpu", "test", "mypy", "tools"] } +gpu-jax = { features = ["test", "mypy", "tools", "jax-cuda"] } +# mlx is the backend that runs on Apple's GPU, through Metal. +gpu-metal = { features = ["test", "mypy", "tools", "mlx"] }