Port sample/feature selection from equisolve to metatensor-learn
#2491
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| name: Build Python wheels | |
| on: | |
| push: | |
| branches: [master] | |
| tags: ["*"] | |
| pull_request: | |
| # Check all PR | |
| concurrency: | |
| group: python-wheels-${{ github.ref }} | |
| cancel-in-progress: ${{ github.ref != 'refs/heads/master' }} | |
| env: | |
| METATENSOR_NO_LOCAL_DEPS: "1" | |
| jobs: | |
| build-core-wheels: | |
| runs-on: ${{ matrix.os }} | |
| name: ${{ matrix.name }} | |
| strategy: | |
| matrix: | |
| include: | |
| - name: x86_64 Linux | |
| os: ubuntu-22.04 | |
| rust-target: x86_64-unknown-linux-gnu | |
| cibw_arch: x86_64 | |
| - name: Aarch64 Linux | |
| os: ubuntu-22.04 | |
| rust-target: aarch64-unknown-linux-gnu | |
| cibw_arch: aarch64 | |
| - name: x86_64 macOS | |
| os: macos-11 | |
| rust-target: x86_64-apple-darwin | |
| cibw_arch: x86_64 | |
| - name: M1 macOS | |
| os: macos-14 | |
| rust-target: aarch64-apple-darwin | |
| cibw_arch: arm64 | |
| - name: x86_64 Windows | |
| os: windows-2019 | |
| # TODO: add a 32-bit windows builder? | |
| rust-target: x86_64-pc-windows-msvc | |
| cibw_arch: AMD64 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| - name: setup rust | |
| uses: dtolnay/rust-toolchain@master | |
| with: | |
| toolchain: stable | |
| target: ${{ matrix.rust-target }} | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| - name: install dependencies | |
| run: python -m pip install cibuildwheel twine | |
| - name: Set up QEMU for docker | |
| if: matrix.os == 'ubuntu-22.04' | |
| uses: docker/setup-qemu-action@v3 | |
| - name: build manylinux with rust docker image | |
| if: matrix.os == 'ubuntu-22.04' | |
| run: docker build -t rustc-manylinux2014_${{ matrix.cibw_arch }} python/scripts/rustc-manylinux2014_${{ matrix.cibw_arch }} | |
| - name: build metatensor-core wheel | |
| run: python -m cibuildwheel python/metatensor-core | |
| env: | |
| CIBW_BUILD: cp311-* | |
| CIBW_SKIP: "*musllinux*" | |
| CIBW_ARCHS: ${{ matrix.cibw_arch }} | |
| CIBW_BUILD_VERBOSITY: 2 | |
| CIBW_MANYLINUX_X86_64_IMAGE: rustc-manylinux2014_x86_64 | |
| CIBW_MANYLINUX_AARCH64_IMAGE: rustc-manylinux2014_aarch64 | |
| - name: check wheels with twine | |
| run: twine check wheelhouse/* | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| name: wheels | |
| path: ./wheelhouse/*.whl | |
| - name: upload wheel to GitHub release | |
| if: startsWith(github.ref, 'refs/tags/metatensor-core-v') | |
| uses: softprops/action-gh-release@v1 | |
| with: | |
| files: ./wheelhouse/*.whl | |
| prerelease: ${{ contains(github.ref, '-rc') }} | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| build-others: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| - name: install dependencies | |
| run: python -m pip install wheel build twine | |
| - name: build metatensor-core sdist | |
| run: python -m build python/metatensor-core --sdist --outdir=dist/ | |
| - name: build metatensor-operations sdist and wheel | |
| run: python -m build python/metatensor-operations --outdir=dist/ | |
| - name: build metatensor-learn sdist and wheel | |
| run: python -m build python/metatensor-learn --outdir=dist/ | |
| - name: build metatensor-torch sdist | |
| run: python -m build python/metatensor-torch --sdist --outdir=dist/ | |
| - name: build metatensor sdist and wheel | |
| run: python -m build . --outdir=dist/ | |
| - name: check sdist and wheels with twine | |
| run: twine check dist/*.tar.gz dist/*.whl | |
| - name: create C++ tarballs | |
| run: | | |
| ./scripts/package-core.sh dist/cxx/ | |
| ./scripts/package-torch.sh dist/cxx/ | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| name: wheels | |
| path: | | |
| dist/*.tar.gz | |
| dist/cxx/*.tar.gz | |
| dist/*.whl | |
| - name: upload to GitHub release (metatensor-core) | |
| if: startsWith(github.ref, 'refs/tags/metatensor-core-v') | |
| uses: softprops/action-gh-release@v1 | |
| with: | |
| files: | | |
| dist/metatensor-core-*.tar.gz | |
| dist/cxx/metatensor-core-cxx-*.tar.gz | |
| dist/metatensor_core-*.whl | |
| prerelease: ${{ contains(github.ref, '-rc') }} | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| - name: upload to GitHub release (metatensor-torch) | |
| if: startsWith(github.ref, 'refs/tags/metatensor-torch-v') | |
| uses: softprops/action-gh-release@v1 | |
| with: | |
| files: | | |
| dist/metatensor-torch-*.tar.gz | |
| dist/cxx/metatensor-torch-cxx-*.tar.gz | |
| dist/metatensor_torch-*.whl | |
| prerelease: ${{ contains(github.ref, '-rc') }} | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| - name: upload to GitHub release (metatensor-operations) | |
| if: startsWith(github.ref, 'refs/tags/metatensor-operations-v') | |
| uses: softprops/action-gh-release@v1 | |
| with: | |
| files: | | |
| dist/metatensor-operations-*.tar.gz | |
| dist/metatensor_operations-*.whl | |
| prerelease: ${{ contains(github.ref, '-rc') }} | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| - name: upload to GitHub release (metatensor-learn) | |
| if: startsWith(github.ref, 'refs/tags/metatensor-learn-v') | |
| uses: softprops/action-gh-release@v1 | |
| with: | |
| files: | | |
| dist/metatensor-learn-*.tar.gz | |
| dist/metatensor_learn-*.whl | |
| prerelease: ${{ contains(github.ref, '-rc') }} | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| - name: remove all sdist except metatensor | |
| run: | | |
| rm dist/metatensor-core-*.tar.gz | |
| rm dist/metatensor-torch-*.tar.gz | |
| rm dist/metatensor-learn-*.tar.gz | |
| rm dist/metatensor-operations-*.tar.gz | |
| - name: upload to GitHub release (metatensor-python) | |
| if: startsWith(github.ref, 'refs/tags/metatensor-python-v') | |
| uses: softprops/action-gh-release@v1 | |
| with: | |
| files: | | |
| dist/metatensor-*.tar.gz | |
| dist/metatensor-*.whl | |
| prerelease: ${{ contains(github.ref, '-rc') }} | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} |