bond environments: bond-atom neighbouring #1306
Workflow file for this run
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| name: Build Python wheels | |
| on: | |
| push: | |
| branches: [main] | |
| tags: ["*"] | |
| pull_request: | |
| # Check all PR | |
| concurrency: | |
| group: wheels-${{ github.ref }} | |
| cancel-in-progress: ${{ github.ref != 'refs/heads/main' }} | |
| jobs: | |
| build-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: x86_64 macOS | |
| os: macos-13 | |
| 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 | |
| - name: build manylinux with rust docker image | |
| if: matrix.os == 'ubuntu-22.04' | |
| run: docker build -t rustc-manylinux2014_x86_64 python/scripts/rustc-manylinux2014_x86_64 | |
| - name: build rascaline wheel | |
| run: python -m cibuildwheel . | |
| env: | |
| CIBW_BUILD: cp310-* | |
| CIBW_SKIP: "*musllinux*" | |
| CIBW_ARCHS: ${{ matrix.cibw_arch }} | |
| CIBW_BUILD_VERBOSITY: 2 | |
| CIBW_MANYLINUX_X86_64_IMAGE: rustc-manylinux2014_x86_64 | |
| 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 -w {dest_dir} {wheel}" | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| name: wheels | |
| path: ./wheelhouse/*.whl | |
| - name: upload wheel to GitHub release | |
| if: startsWith(github.ref, 'refs/tags/') | |
| uses: softprops/action-gh-release@v1 | |
| with: | |
| files: ./wheelhouse/*.whl | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| build-sdist: | |
| runs-on: ubuntu-22.04 | |
| name: sdist | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| - name: build sdist | |
| run: | | |
| pip install build | |
| python -m build --sdist . | |
| - uses: actions/upload-artifact@v3 | |
| with: | |
| name: wheels | |
| path: dist/*.tar.gz | |
| - name: upload sdist to GitHub release | |
| if: startsWith(github.ref, 'refs/tags/') | |
| uses: softprops/action-gh-release@v1 | |
| with: | |
| files: dist/*.tar.gz | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} |