Re-enable Windows Rust tests #603
Workflow file for this run
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| # name: Build Python wheels | |
| # on: | |
| # push: | |
| # tags: ["*"] | |
| # pull_request: | |
| # paths: | |
| # # build wheels in PR if this file changed | |
| # - '.github/workflows/build-wheels.yml' | |
| # # build wheels in PR if any of the build system files changed | |
| # - '**/VERSION' | |
| # - '**/setup.py' | |
| # - '**/pyproject.toml' | |
| # - '**/MANIFEST.in' | |
| # - '**/CMakeLists.txt' | |
| # schedule: | |
| # # check the build once a week on mondays | |
| # - cron: '0 10 * * 1' | |
| # concurrency: | |
| # group: python-wheels-${{ github.ref }} | |
| # cancel-in-progress: ${{ github.ref != 'refs/heads/main' }} | |
| # jobs: | |
| # build-torch-wheels: | |
| # runs-on: ${{ matrix.os }} | |
| # name: ${{ matrix.name }} (torch v${{ matrix.torch-version }}) | |
| # strategy: | |
| # matrix: | |
| # os: ['ubuntu-24.04', 'ubuntu-24.04-arm', 'macos-15', 'windows-2022'] | |
| # arch: ['arm64', 'x86_64'] | |
| # torch-version: ['2.3', '2.4', '2.5', '2.6', '2.7', '2.8', '2.9', '2.10', '2.11', '2.12'] | |
| # exclude: | |
| # # remove mismatched arch-os combinations | |
| # - {os: windows-2022, arch: arm64} | |
| # - {os: ubuntu-24.04, arch: arm64} | |
| # - {os: macos-15, arch: x86_64} | |
| # - {os: ubuntu-24.04-arm, arch: x86_64} | |
| # include: | |
| # # add `cibw-arch` and `rust-target` to the different configurations | |
| # - name: x86_64 Linux | |
| # os: ubuntu-24.04 | |
| # arch: x86_64 | |
| # rust-target: x86_64-unknown-linux-gnu | |
| # cibw-arch: x86_64 | |
| # - name: arm64 Linux | |
| # os: ubuntu-24.04-arm | |
| # arch: arm64 | |
| # rust-target: aarch64-unknown-linux-gnu | |
| # cibw-arch: aarch64 | |
| # - name: arm64 macOS | |
| # os: macos-15 | |
| # arch: arm64 | |
| # rust-target: aarch64-apple-darwin | |
| # cibw-arch: arm64 | |
| # - name: x86_64 Windows | |
| # os: windows-2022 | |
| # arch: x86_64 | |
| # rust-target: x86_64-pc-windows-msvc | |
| # cibw-arch: AMD64 | |
| # # add the right python version image for each torch version | |
| # - {torch-version: '2.3', cibw-python: 'cp312-*'} | |
| # - {torch-version: '2.4', cibw-python: 'cp312-*'} | |
| # - {torch-version: '2.5', cibw-python: 'cp312-*'} | |
| # - {torch-version: '2.6', cibw-python: 'cp313-*'} | |
| # - {torch-version: '2.7', cibw-python: 'cp313-*'} | |
| # - {torch-version: '2.8', cibw-python: 'cp313-*'} | |
| # - {torch-version: '2.9', cibw-python: 'cp314-*'} | |
| # - {torch-version: '2.10', cibw-python: 'cp314-*'} | |
| # - {torch-version: '2.11', cibw-python: 'cp314-*'} | |
| # - {torch-version: '2.12', cibw-python: 'cp314-*'} | |
| # steps: | |
| # - uses: actions/checkout@v6 | |
| # with: | |
| # fetch-depth: 0 | |
| # - name: Set up Python | |
| # uses: actions/setup-python@v6 | |
| # with: | |
| # python-version: "3.14" | |
| # - name: install dependencies | |
| # run: python -m pip install cibuildwheel | |
| # - name: build custom manylinux docker images | |
| # if: matrix.os == 'ubuntu-24.04' || matrix.os == 'ubuntu-24.04-arm' | |
| # run: | | |
| # docker buildx build \ | |
| # -t gcc11-manylinux_2_28_${{ matrix.cibw-arch }} \ | |
| # python/scripts/gcc11-manylinux_2_28_${{ matrix.cibw-arch }} | |
| # - name: build metatomic-torch wheel | |
| # run: python -m cibuildwheel python/metatomic_torch | |
| # env: | |
| # CIBW_BUILD: ${{ matrix.cibw-python}} | |
| # CIBW_SKIP: "*musllinux*" | |
| # CIBW_ARCHS: ${{ matrix.cibw-arch }} | |
| # CIBW_BUILD_VERBOSITY: 1 | |
| # CIBW_MANYLINUX_X86_64_IMAGE: gcc11-manylinux_2_28_x86_64 | |
| # CIBW_MANYLINUX_AARCH64_IMAGE: gcc11-manylinux_2_28_aarch64 | |
| # # METATOMIC_NO_LOCAL_DEPS is set to 1 when building a tag of | |
| # # metatomic-torch, which will force to use the version of | |
| # # metatomic-core already released on PyPI. Otherwise, this will use | |
| # # the version of metatomic-core from git checkout (in case there are | |
| # # unreleased breaking changes). | |
| # # | |
| # # This means that when releasing a breaking change in metatomic-core, | |
| # # the full release should be available on PyPI before pushing the new | |
| # # metatomic-torch tag. | |
| # CIBW_ENVIRONMENT: > | |
| # METATOMIC_NO_LOCAL_DEPS=${{ startsWith(github.ref, 'refs/tags/metatomic-torch-v') && '1' || '0' }} | |
| # METATOMIC_TORCH_BUILD_WITH_TORCH_VERSION=${{ matrix.torch-version }}.* | |
| # PIP_EXTRA_INDEX_URL=https://download.pytorch.org/whl/cpu | |
| # MACOSX_DEPLOYMENT_TARGET=11 | |
| # # do not complain for missing shared libraries provided by other packages | |
| # CIBW_REPAIR_WHEEL_COMMAND_MACOS: | | |
| # delocate-wheel --ignore-missing-dependencies --require-archs {delocate_archs} -w {dest_dir} -v {wheel} | |
| # CIBW_REPAIR_WHEEL_COMMAND_LINUX: | | |
| # auditwheel repair --exclude libmetatensor.so --exclude libmetatensor_torch.so --exclude libtorch.so --exclude libtorch_cpu.so --exclude libc10.so -w {dest_dir} {wheel} | |
| # - uses: actions/upload-artifact@v7 | |
| # with: | |
| # name: torch-single-version-wheel-${{ matrix.torch-version }}-${{ matrix.os }}-${{ matrix.arch }} | |
| # path: ./wheelhouse/*.whl | |
| # merge-torch-wheels: | |
| # needs: build-torch-wheels | |
| # runs-on: ubuntu-24.04 | |
| # name: merge metatomic-torch ${{ matrix.name }} | |
| # strategy: | |
| # matrix: | |
| # include: | |
| # - name: x86_64 Linux | |
| # os: ubuntu-24.04 | |
| # arch: x86_64 | |
| # - name: arm64 Linux | |
| # os: ubuntu-24.04-arm | |
| # arch: arm64 | |
| # - name: arm64 macOS | |
| # os: macos-15 | |
| # arch: arm64 | |
| # - name: x86_64 Windows | |
| # os: windows-2022 | |
| # arch: x86_64 | |
| # steps: | |
| # - uses: actions/checkout@v6 | |
| # - name: Download wheels | |
| # uses: actions/download-artifact@v8 | |
| # with: | |
| # pattern: torch-single-version-wheel-*-${{ matrix.os }}-${{ matrix.arch }} | |
| # merge-multiple: false | |
| # path: dist | |
| # - name: Set up Python | |
| # uses: actions/setup-python@v6 | |
| # with: | |
| # python-version: "3.14" | |
| # - name: install dependencies | |
| # run: python -m pip install twine wheel | |
| # - name: merge wheels | |
| # run: | | |
| # # collect all torch versions used for the build | |
| # REQUIRES_TORCH=$(find dist -name "*.whl" -exec unzip -p {} "metatomic_torch-*.dist-info/METADATA" \; | grep "Requires-Dist: torch") | |
| # MERGED_TORCH_REQUIRE=$(python scripts/create-torch-versions-range.py "$REQUIRES_TORCH") | |
| # echo MERGED_TORCH_REQUIRE=$MERGED_TORCH_REQUIRE | |
| # # unpack all single torch versions wheels in the same directory | |
| # mkdir dist/unpacked | |
| # find dist -name "*.whl" -print -exec python -m wheel unpack --dest dist/unpacked/ {} ';' | |
| # sed -i "s/Requires-Dist: torch.*/$MERGED_TORCH_REQUIRE/" dist/unpacked/metatomic_torch-*/metatomic_torch-*.dist-info/METADATA | |
| # echo "\n\n METADATA = \n\n" | |
| # cat dist/unpacked/metatomic_torch-*/metatomic_torch-*.dist-info/METADATA | |
| # # check the right metadata was added to the file. grep will exit with | |
| # # code `1` if the line is not found, which will stop CI | |
| # grep "$MERGED_TORCH_REQUIRE" dist/unpacked/metatomic_torch-*/metatomic_torch-*.dist-info/METADATA | |
| # # repack the directory as a new wheel | |
| # mkdir wheelhouse | |
| # python -m wheel pack --dest wheelhouse/ dist/unpacked/* | |
| # - name: check wheels with twine | |
| # run: twine check wheelhouse/* | |
| # - uses: actions/upload-artifact@v7 | |
| # with: | |
| # name: torch-wheel-${{ matrix.os }}-${{ matrix.arch }} | |
| # path: ./wheelhouse/*.whl | |
| # build-others: | |
| # name: Build other wheels/sdists | |
| # runs-on: ubuntu-24.04 | |
| # env: | |
| # METATOMIC_NO_LOCAL_DEPS: "1" | |
| # steps: | |
| # - uses: actions/checkout@v6 | |
| # with: | |
| # fetch-depth: 0 | |
| # - name: Set up Python | |
| # uses: actions/setup-python@v6 | |
| # with: | |
| # python-version: "3.14" | |
| # - name: install dependencies | |
| # run: python -m pip install wheel build twine | |
| # - name: build metatomic-torch sdist | |
| # run: python -m build python/metatomic_torch --sdist --outdir=dist/ | |
| # - name: build metatomic sdist and wheel | |
| # run: python -m build . --outdir=dist/ | |
| # - name: build metatomic_ase sdist and wheel | |
| # run: python -m build python/metatomic_ase --outdir=dist/ | |
| # - name: build metatomic_torchsim sdist and wheel | |
| # run: python -m build python/metatomic_torchsim --outdir=dist/ | |
| # - name: check sdist and wheels with twine | |
| # run: twine check dist/*.tar.gz dist/*.whl | |
| # - name: create C++ tarballs | |
| # run: | | |
| # ./scripts/package-torch.sh dist/cxx/ | |
| # - uses: actions/upload-artifact@v7 | |
| # with: | |
| # name: others | |
| # path: | | |
| # dist/*.tar.gz | |
| # dist/cxx/*.tar.gz | |
| # dist/*.whl | |
| # merge-and-release: | |
| # name: Merge and release wheels/sdists | |
| # needs: [merge-torch-wheels, build-others] | |
| # runs-on: ubuntu-24.04 | |
| # permissions: | |
| # contents: write | |
| # pull-requests: write | |
| # steps: | |
| # - name: Download metatomic-torch wheels | |
| # uses: actions/download-artifact@v8 | |
| # with: | |
| # path: wheels | |
| # pattern: torch-wheel-* | |
| # merge-multiple: true | |
| # - name: Download other wheels and sdists | |
| # uses: actions/download-artifact@v8 | |
| # with: | |
| # path: wheels | |
| # name: others | |
| # - name: Re-upload a single wheels artifact | |
| # uses: actions/upload-artifact@v7 | |
| # with: | |
| # name: wheels | |
| # path: | | |
| # wheels/* | |
| # wheels/cxx/* | |
| # - name: Comment with download link | |
| # uses: PicoCentauri/comment-artifact@v1 | |
| # if: github.event.pull_request.head.repo.fork == false | |
| # with: | |
| # name: wheels | |
| # description: ⚙️ Download Python wheels for this pull-request (you can install these with pip) | |
| # - name: upload to GitHub release (metatomic) | |
| # if: startsWith(github.ref, 'refs/tags/metatomic-v') | |
| # uses: softprops/action-gh-release@v3 | |
| # with: | |
| # files: | | |
| # wheels/metatomic-* | |
| # prerelease: ${{ contains(github.ref, '-rc') }} | |
| # env: | |
| # GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| # - name: upload to GitHub release (metatomic-torch) | |
| # if: startsWith(github.ref, 'refs/tags/metatomic-torch-v') | |
| # uses: softprops/action-gh-release@v3 | |
| # with: | |
| # files: | | |
| # wheels/cxx/metatomic-torch-cxx-*.tar.gz | |
| # wheels/metatomic_torch-* | |
| # prerelease: ${{ contains(github.ref, '-rc') }} | |
| # env: | |
| # GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| # - name: upload to GitHub release (metatomic-ase) | |
| # if: startsWith(github.ref, 'refs/tags/metatomic-ase-v') | |
| # uses: softprops/action-gh-release@v3 | |
| # with: | |
| # files: | | |
| # wheels/metatomic_ase-* | |
| # prerelease: ${{ contains(github.ref, '-rc') }} | |
| # env: | |
| # GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| # - name: upload to GitHub release (metatomic-torchsim) | |
| # if: startsWith(github.ref, 'refs/tags/metatomic-torchsim-v') | |
| # uses: softprops/action-gh-release@v3 | |
| # with: | |
| # files: | | |
| # wheels/metatomic_torchsim-* | |
| # prerelease: ${{ contains(github.ref, '-rc') }} | |
| # env: | |
| # GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| # test-build-external: | |
| # # This checks building the wheels with external libraries. This setup is | |
| # # mainly used for the conda packages metatensor-*-python, which use the | |
| # # libmetatensor-* conda packages to provide the native code. | |
| # runs-on: ${{ matrix.os }} | |
| # name: External libraries / ${{ matrix.os }} | |
| # defaults: | |
| # run: | |
| # shell: bash | |
| # strategy: | |
| # matrix: | |
| # include: | |
| # - os: ubuntu-24.04 | |
| # rust-target: x86_64-unknown-linux-gnu | |
| # torch-version: "2.12" | |
| # libtorch-url: https://download.pytorch.org/libtorch/cpu/libtorch-shared-with-deps-2.12.0%2Bcpu.zip | |
| # - os: macos-15 | |
| # rust-target: aarch64-apple-darwin | |
| # torch-version: "2.12" | |
| # libtorch-url: https://download.pytorch.org/libtorch/cpu/libtorch-macos-arm64-2.12.0.zip | |
| # - os: windows-2022 | |
| # rust-target: x86_64-pc-windows-msvc | |
| # torch-version: "2.12" | |
| # libtorch-url: https://download.pytorch.org/libtorch/cpu/libtorch-win-shared-with-deps-2.12.0%2Bcpu.zip | |
| # steps: | |
| # - uses: actions/checkout@v6 | |
| # with: | |
| # fetch-depth: 0 | |
| # - name: setup Python | |
| # uses: actions/setup-python@v6 | |
| # with: | |
| # python-version: "3.14" | |
| # - name: setup environment | |
| # run: | | |
| # pip install build | |
| # echo "CMAKE_PREFIX_PATH=${RUNNER_TEMP//\\//}/usr" >> "$GITHUB_ENV" | |
| # - name: setup libtorch | |
| # run: | | |
| # curl --location --output libtorch.zip ${{ matrix.libtorch-url }} | |
| # unzip -q libtorch.zip -d $CMAKE_PREFIX_PATH/ | |
| # mv $CMAKE_PREFIX_PATH/libtorch/* $CMAKE_PREFIX_PATH/ | |
| # - name: setup libmetatensor | |
| # run: | | |
| # curl --location -O https://github.com/metatensor/metatensor/releases/download/metatensor-core-v0.2.0/metatensor-core-cxx-0.2.0.tar.gz | |
| # tar xf metatensor-core-cxx-0.2.0.tar.gz | |
| # cmake -B build-metatensor -S metatensor-core-cxx-0.2.0 \ | |
| # -DMETATENSOR_INSTALL_BOTH_STATIC_SHARED=OFF \ | |
| # -DCMAKE_INSTALL_PREFIX=$CMAKE_PREFIX_PATH \ | |
| # -DCMAKE_BUILD_TYPE=Debug | |
| # cmake --build build-metatensor --config Debug | |
| # cmake --install build-metatensor --config Debug | |
| # - name: setup libmetatensor-torch | |
| # run: | | |
| # curl --location -O https://github.com/metatensor/metatensor/releases/download/metatensor-torch-v0.9.0/metatensor-torch-cxx-0.9.0.tar.gz | |
| # tar xf metatensor-torch-cxx-0.9.0.tar.gz | |
| # cmake -B build-metatensor-torch -S metatensor-torch-cxx-0.9.0 \ | |
| # -DCMAKE_INSTALL_PREFIX=$CMAKE_PREFIX_PATH \ | |
| # -DCMAKE_BUILD_TYPE=Debug | |
| # cmake --build build-metatensor-torch --config Debug | |
| # cmake --install build-metatensor-torch --config Debug | |
| # - name: build libmetatomic-torch | |
| # run: | | |
| # cmake -B build-metatomic-torch -S metatomic-torch \ | |
| # -DCMAKE_INSTALL_PREFIX=$CMAKE_PREFIX_PATH \ | |
| # -DCMAKE_BUILD_TYPE=Debug | |
| # cmake --build build-metatomic-torch --config Debug | |
| # cmake --install build-metatomic-torch --config Debug | |
| # - name: build metatomic-torch wheels | |
| # run: | | |
| # pip install build | |
| # python -m build python/metatomic_torch --wheel --outdir=dist/ | |
| # unzip -l dist/metatomic_torch*.whl | grep "_external.py" | |
| # env: | |
| # METATOMIC_TORCH_PYTHON_USE_EXTERNAL_LIB: "ON" | |
| # METATOMIC_TORCH_BUILD_WITH_TORCH_VERSION: ${{ matrix.torch-version }}.* | |
| # PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu |