v1.3.0 #79
Workflow file for this run
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| name: PyPI-wheel | |
| on: | |
| release: | |
| types: | |
| # Note: editing the prerelease then marking as release does not trigger | |
| # this pipeline | |
| # - prereleased | |
| - released | |
| workflow_dispatch: | |
| jobs: | |
| release-pypi-linux-cuda11: | |
| runs-on: ubuntu-latest | |
| env: | |
| img: wxj6000/manylinux2014:cuda118 | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v3 | |
| - name: Build wheels | |
| run: | | |
| docker run --rm -v ${{ github.workspace }}:/gpu4pyscf:rw --workdir=/gpu4pyscf \ | |
| -e CMAKE_CONFIGURE_ARGS="-DBUILD_LIBXC=OFF" \ | |
| ${{ env.img }} \ | |
| bash -exc 'sh /gpu4pyscf/builder/build_wheels.sh' | |
| - name: List available wheels | |
| run: | | |
| ls ${{ github.workspace }}/wheelhouse | |
| - name: Publish to PyPI | |
| run: | | |
| pip install twine | |
| export TWINE_USERNAME=__token__ | |
| export TWINE_PASSWORD="${{ secrets.PYPI_API_TOKEN }}" | |
| twine upload --verbose "${{ github.workspace }}/wheelhouse/*" | |
| release-pypi-linux-cuda12: | |
| runs-on: ubuntu-latest | |
| env: | |
| img: wxj6000/manylinux2014:cuda121 | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v3 | |
| - name: Build wheels | |
| run: | | |
| docker run --rm -v ${{ github.workspace }}:/gpu4pyscf:rw --workdir=/gpu4pyscf \ | |
| -e CMAKE_CONFIGURE_ARGS="-DBUILD_LIBXC=OFF" \ | |
| ${{ env.img }} \ | |
| bash -exc 'sh /gpu4pyscf/builder/build_wheels.sh' | |
| - name: List available wheels | |
| run: | | |
| ls ${{ github.workspace }}/wheelhouse | |
| - name: Publish to PyPI | |
| run: | | |
| pip install twine | |
| export TWINE_USERNAME=__token__ | |
| export TWINE_PASSWORD="${{ secrets.PYPI_API_TOKEN }}" | |
| twine upload --verbose "${{ github.workspace }}/wheelhouse/*" | |
| release-pypi-sdist: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v3 | |
| - name: Build sdist | |
| run: | | |
| python3 setup.py sdist | |
| - name: Publish to PyPI | |
| run: | | |
| pip install twine | |
| export TWINE_USERNAME=__token__ | |
| export TWINE_PASSWORD="${{ secrets.PYPI_API_TOKEN }}" | |
| twine upload --verbose "${{ github.workspace }}/dist/*" |