🤖 Bump RDKit version to Release_2024_03_6 #1060
Workflow file for this run
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| name: Build wheels | |
| on: | |
| workflow_dispatch: | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| permissions: | |
| contents: write | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| VCPKG_BINARY_SOURCES: "clear;x-gha,readwrite" | |
| PYTHONUNBUFFERED: "1" | |
| jobs: | |
| build_wheels: | |
| name: Build for cp${{ matrix.python }}-${{ matrix.platform_id }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| # Window 64 bit | |
| - os: windows-2019 | |
| python: 39 | |
| bitness: 64 | |
| platform_id: win_amd64 | |
| - os: windows-2019 | |
| python: 310 | |
| bitness: 64 | |
| platform_id: win_amd64 | |
| - os: windows-2019 | |
| python: 311 | |
| bitness: 64 | |
| platform_id: win_amd64 | |
| - os: windows-2019 | |
| python: 312 | |
| bitness: 64 | |
| platform_id: win_amd64 | |
| # - os: windows-2019 | |
| # python: 313 | |
| # bitness: 64 | |
| # platform_id: win_amd64 | |
| # Linux 64 bit Intel: x86_64 | |
| - os: ubuntu-latest | |
| python: 39 | |
| bitness: 64 | |
| platform_id: manylinux_x86_64 | |
| - os: ubuntu-latest | |
| python: 310 | |
| bitness: 64 | |
| platform_id: manylinux_x86_64 | |
| - os: ubuntu-latest | |
| python: 311 | |
| bitness: 64 | |
| platform_id: manylinux_x86_64 | |
| - os: ubuntu-latest | |
| python: 312 | |
| bitness: 64 | |
| platform_id: manylinux_x86_64 | |
| # - os: ubuntu-latest | |
| # python: 313 | |
| # bitness: 64 | |
| # platform_id: manylinux_x86_64 | |
| # Linux 64 bit ARM: aarch64 (on Circle CI) | |
| # MacOS 64 bit Intel: arm64 | |
| - os: macos-14 | |
| bitness: 64 | |
| python: 39 | |
| platform_id: macosx_arm64 | |
| - os: macos-14 | |
| bitness: 64 | |
| python: 310 | |
| platform_id: macosx_arm64 | |
| - os: macos-14 | |
| bitness: 64 | |
| python: 311 | |
| platform_id: macosx_arm64 | |
| - os: macos-14 | |
| bitness: 64 | |
| python: 312 | |
| platform_id: macosx_arm64 | |
| # - os: macos-14 | |
| # bitness: 64 | |
| # python: 313 | |
| # platform_id: macosx_arm64 | |
| # MacOS 64 bit Intel: x86_64 | |
| - os: macos-12 | |
| bitness: 64 | |
| python: 39 | |
| platform_id: macosx_x86_64 | |
| - os: macos-12 | |
| bitness: 64 | |
| python: 310 | |
| platform_id: macosx_x86_64 | |
| - os: macos-12 | |
| bitness: 64 | |
| python: 311 | |
| platform_id: macosx_x86_64 | |
| - os: macos-12 | |
| bitness: 64 | |
| python: 312 | |
| platform_id: macosx_x86_64 | |
| # - os: macos-12 | |
| # bitness: 64 | |
| # python: 313 | |
| # platform_id: macosx_x86_64 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Copy to C:\ | |
| if: ${{ runner.os == 'Windows' }} | |
| run: | | |
| Copy-Item -Path D:\a\rdkit-pypi\rdkit-pypi -Destination C:\rdkit -Recurse | |
| - uses: actions/setup-python@v5 | |
| name: Install Python | |
| with: | |
| python-version: '3.11' | |
| - name: Export GitHub Actions cache environment variables for vcpkg | |
| if: ${{ runner.os == 'Windows' }} | |
| uses: actions/github-script@v7 | |
| with: | |
| script: | | |
| core.exportVariable('ACTIONS_CACHE_URL', process.env.ACTIONS_CACHE_URL || ''); | |
| core.exportVariable('ACTIONS_RUNTIME_TOKEN', process.env.ACTIONS_RUNTIME_TOKEN || ''); | |
| - name: Install libraries with vcpkg | |
| if: ${{ runner.os == 'Windows' }} | |
| run: | | |
| cd C:\\rdkit | |
| vcpkg --triplet x64-windows install | |
| - name: Install libraries with chocolatey | |
| if: ${{ runner.os == 'Windows' }} | |
| run: | | |
| choco install sed | |
| choco install pkgconfiglite --allow-empty-checksums | |
| shell: pwsh | |
| - name: Build wheels | |
| env: | |
| CIBW_BUILD: cp${{ matrix.python }}-${{ matrix.platform_id }} | |
| CIBW_ARCHS: all | |
| run: | | |
| if [ "$RUNNER_OS" == "Windows" ]; then | |
| cd C:\\rdkit | |
| echo "C:\\libs" >> $GITHUB_PATH | |
| fi | |
| python -m pip install cibuildwheel==2.21.3 | |
| python -m cibuildwheel --output-dir wheelhouse | |
| shell: bash | |
| # - name: Setup tmate session | |
| # if: ${{ failure() }} | |
| # uses: mxschmitt/action-tmate@v3 | |
| - uses: actions/upload-artifact@v4 | |
| if: ${{ runner.os == 'Windows' }} | |
| with: | |
| name: cp${{ matrix.python }}-${{ matrix.platform_id }}-${{ strategy.job-index }} | |
| path: C:\rdkit\wheelhouse\*.whl | |
| - uses: actions/upload-artifact@v4 | |
| if: ${{ runner.os != 'Windows' }} | |
| with: | |
| name: cp${{ matrix.python }}-${{ matrix.platform_id }}-${{ strategy.job-index }} | |
| path: ./wheelhouse/*.whl | |