Click to insert a fragment would leave dummy atoms #3388
Workflow file for this run
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| name: Build Wheels | |
| on: [push, pull_request] | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.ref }} | |
| cancel-in-progress: true | |
| env: | |
| # Don't build python 2.7, pypy, or 32-bit wheels or Mac arm64 on Py3.8 | |
| CIBW_SKIP: "cp36-* cp37-* cp311-manylinux* cp312-manylinux* cp38-macosx_arm64 pp* *-musllinux_* *-manylinux_i686 *-win32" | |
| # Need to do some setup before repairing the wheel on linux... | |
| CIBW_REPAIR_WHEEL_COMMAND_LINUX: bash scripts/github-actions/repair_command_linux.sh | |
| CIBW_BEFORE_ALL_LINUX: bash scripts/github-actions/repair-linux.sh | |
| # Specify eigen location for windows | |
| CIBW_ENVIRONMENT_WINDOWS: "EXTRA_CMAKE_ARGS=-DEIGEN3_INCLUDE_DIR:PATH=/c/eigen" | |
| # On Mac build both x64 and arm64 | |
| CIBW_ARCHS_MACOS: "x86_64 arm64" | |
| CIBW_TEST_REQUIRES: pytest | |
| # Run a very simple test to make sure the wheels are working | |
| CIBW_TEST_COMMAND: pytest {project}/scripts/github-actions/simple_test.py | |
| # We can't currently test Mac arm64 builds on x64 | |
| CIBW_TEST_SKIP: "*_arm64 *_universal2:arm64" | |
| # Use bash by default for the run command | |
| defaults: | |
| run: | |
| shell: bash | |
| jobs: | |
| build_wheels: | |
| name: Build wheels on ${{ matrix.os }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| # For Windows, we have to use visual studio 2017, which is on windows-2016 | |
| os: [ubuntu-20.04, macos-latest, windows-2019] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| # Grab the whole history so that setuptools-scm can see the tags and | |
| # give it a correct version even on non-tag push. | |
| fetch-depth: 0 | |
| - uses: actions/setup-python@v5 | |
| name: Install Python | |
| with: | |
| python-version: '3.8' | |
| cache: 'pip' # caching pip dependencies | |
| - name: Install cibuildwheel | |
| run: pip install cibuildwheel==2.16.2 | |
| - name: Install dependencies | |
| run: . ./scripts/github-actions/install.sh | |
| - name: Build wheels | |
| run: cibuildwheel --output-dir wheelhouse | |
| - uses: actions/upload-artifact@v4 | |
| with: | |
| name: cibw-wheels-${{ matrix.os }}-${{ strategy.job-index }} | |
| path: ./wheelhouse/*.whl | |
| upload_pypi: | |
| needs: build_wheels | |
| name: Upload wheels to PyPI | |
| runs-on: ubuntu-latest | |
| # upload to PyPI on every tag push | |
| if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/') | |
| steps: | |
| - uses: actions/download-artifact@v4 | |
| with: | |
| name: artifact | |
| path: dist | |
| - uses: pypa/gh-action-pypi-publish@master | |
| with: | |
| user: __token__ | |
| password: ${{ secrets.pypi_api_token }} |