Update the package to use the modified process ligand. Now also retur… #4
Workflow file for this run
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| name: Build Process_Ligand (Static with CMake) | |
| on: | |
| push: | |
| tags: | |
| - 'v[0-9]+.[0-9]+.[0-9]+*' | |
| # Must commit, tag then push to start the build | |
| jobs: | |
| build: | |
| strategy: | |
| matrix: | |
| os: [ ubuntu-latest, macos-latest, windows-latest ] | |
| include: | |
| - os: ubuntu-latest | |
| platform_id: manylinux_x86_64 | |
| - os: macos-latest | |
| platform_id: macosx | |
| - os: windows-latest | |
| platform_id: win_amd64 | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up MSVC environment (Windows) | |
| if: runner.os == 'Windows' | |
| uses: ilammy/msvc-dev-cmd@v1 | |
| with: | |
| arch: x64 | |
| - name: Setup Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.11" | |
| - name: Install cibuildwheel | |
| run: python -m pip install cibuildwheel==3.1.2 | |
| - name: Build wheels | |
| run: python -m cibuildwheel --output-dir wheelhouse | |
| env: | |
| CIBW_BUILD_VERBOSITY: 1 | |
| CIBW_ARCHS: ${{ runner.os == 'macOS' && 'universal2' || 'auto64' }} | |
| - name: Upload wheels as an Artifact | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: cibw-wheels-${{ runner.os }} | |
| path: ./wheelhouse/*.whl | |
| build_sdist: | |
| name: Build source distribution | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| submodules: true | |
| - uses: actions/setup-python@v5 | |
| name: Install Python | |
| with: | |
| python-version: '3.13' | |
| - run: python -m pip install build | |
| - name: Build sdist | |
| run: python -m build --sdist | |
| - uses: actions/upload-artifact@v4 | |
| with: | |
| name: cibw-sdist | |
| path: dist/*.tar.gz | |
| upload_pypi: | |
| needs: [ build, build_sdist ] | |
| runs-on: ubuntu-latest | |
| if: startsWith(github.ref, 'refs/tags/') | |
| permissions: | |
| id-token: write | |
| steps: | |
| - name: Clean dist folder | |
| run: rm -rf dist | |
| - name: Download all distribution files | |
| uses: actions/download-artifact@v4 | |
| with: | |
| pattern: cibw-* | |
| path: dist/ | |
| merge-multiple: true | |
| - name: Publish package to PyPI | |
| uses: pypa/gh-action-pypi-publish@release/v1 |