Publish #4
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| name: Publish | |
| on: | |
| workflow_dispatch: | |
| jobs: | |
| release-pypi-x86-64: | |
| runs-on: ubuntu-latest | |
| env: | |
| img: quay.io/pypa/manylinux2014_x86_64:latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Build wheels | |
| run: | | |
| docker run --rm -v ${{ github.workspace }}:/src/pyscf-forge:rw --workdir=/src/pyscf-forge \ | |
| ${{ env.img }} \ | |
| bash -exc '/opt/python/cp39-cp39/bin/pip install --upgrade pip setuptools && \ | |
| yum install -y epel-release && \ | |
| yum-config-manager --enable epel && \ | |
| yum install -y openblas-devel gcc && \ | |
| export src=${GITHUB_WORKSPACE:-/src/pyscf-forge} && \ | |
| export dst=${GITHUB_WORKSPACE:-/src/pyscf-forge}/linux-wheels && \ | |
| mkdir -p /root/wheelhouse $src/linux-wheels && \ | |
| sed -i "/if basename(fn) not in needed_libs:/s/basename.*libs/1/" /opt/_internal/pipx/venvs/auditwheel/lib/python*/site-packages/auditwheel/wheel_abi.py && \ | |
| sed -i "/if src_path is None/a\ continue" /opt/_internal/pipx/venvs/auditwheel/lib/python*/site-packages/auditwheel/repair.py && \ | |
| export PATH=/opt/python/cp39-cp39/bin:$PATH && \ | |
| /opt/python/cp39-cp39/bin/pip wheel -v --no-deps --no-clean -w /root/wheelhouse $src && \ | |
| export whl=`ls /root/wheelhouse/pyscf_forge-*-linux_*.whl` && \ | |
| auditwheel -v repair "$whl" -w $dst' | |
| - name: List available wheels | |
| run: | | |
| ls ${{ github.workspace }}/linux-wheels | |
| - name: Publish to PyPI | |
| # if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags') | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| user: __token__ | |
| #password: ${{ secrets.PYPI_TEST_API_TOKEN }} | |
| #repository_url: https://test.pypi.org/legacy/ | |
| password: ${{ secrets.PYPI_API_TOKEN }} | |
| packages-dir: ${{ github.workspace }}/linux-wheels | |
| verbose: true | |
| release-pypi-aarch64: | |
| runs-on: ubuntu-latest | |
| env: | |
| img: quay.io/pypa/manylinux2014_aarch64:latest | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| - name: Set up QEMU | |
| id: qemu | |
| uses: docker/setup-qemu-action@v2 | |
| - name: Build Wheel | |
| run: | | |
| docker run --rm -v ${{ github.workspace }}:/src/pyscf-forge:rw --workdir=/src/pyscf-forge \ | |
| ${{ env.img }} \ | |
| bash -exc '/opt/python/cp39-cp39/bin/pip install --upgrade pip setuptools && \ | |
| yum install -y epel-release && \ | |
| yum-config-manager --enable epel && \ | |
| yum install -y openblas-devel gcc && \ | |
| export src=${GITHUB_WORKSPACE:-/src/pyscf-forge} && \ | |
| export dst=${GITHUB_WORKSPACE:-/src/pyscf-forge}/linux-wheels && \ | |
| mkdir -p /root/wheelhouse $src/linux-wheels && \ | |
| sed -i "/if basename(fn) not in needed_libs:/s/basename.*libs/1/" /opt/_internal/pipx/venvs/auditwheel/lib/python*/site-packages/auditwheel/wheel_abi.py && \ | |
| sed -i "/if src_path is None/a\ continue" /opt/_internal/pipx/venvs/auditwheel/lib/python*/site-packages/auditwheel/repair.py && \ | |
| sed -i "s/numpy/h5py==3.10/" $src/pyproject.toml && \ | |
| export PATH=/opt/python/cp39-cp39/bin:$PATH && \ | |
| /opt/python/cp39-cp39/bin/pip wheel -v --no-deps --no-clean -w /root/wheelhouse $src && \ | |
| export whl=`ls /root/wheelhouse/pyscf_forge-*-linux_*.whl` && \ | |
| auditwheel -v repair "$whl" -w $dst' | |
| - name: List available wheels | |
| run: | | |
| ls ${{ github.workspace }}/linux-wheels | |
| - name: Publish to PyPI | |
| # if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags') | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| user: __token__ | |
| #password: ${{ secrets.PYPI_TEST_API_TOKEN }} | |
| #repository_url: https://test.pypi.org/legacy/ | |
| password: ${{ secrets.PYPI_API_TOKEN }} | |
| packages-dir: ${{ github.workspace }}/linux-wheels | |
| verbose: true | |
| release-pypi-sdist: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Build sdist | |
| run: | | |
| python3 setup.py sdist | |
| - name: List available sdist | |
| run: | | |
| ls ${{ github.workspace }}/dist | |
| - name: Publish to PyPI | |
| # if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags') | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| user: __token__ | |
| #password: ${{ secrets.PYPI_TEST_API_TOKEN }} | |
| #repository_url: https://test.pypi.org/legacy/ | |
| password: ${{ secrets.PYPI_API_TOKEN }} | |
| packages-dir: ${{ github.workspace }}/dist | |
| verbose: true | |
| # release-pypi-macos-x86: | |
| # name: Build wheels for macos | |
| # runs-on: macos-12 | |
| # steps: | |
| # - uses: actions/checkout@v4 | |
| # - name: Build wheels | |
| # uses: pypa/[email protected] | |
| # env: | |
| # CIBW_BUILD: cp311-macosx_x86_64 | |
| # CIBW_BUILD_VERBOSITY: "1" | |
| # with: | |
| # output-dir: mac-wheels | |
| # - name: List available wheels | |
| # run: | | |
| # ls mac-wheels | |
| # - name: Publish to PyPI | |
| # run: | | |
| # pip3 install twine | |
| # export TWINE_USERNAME=__token__ | |
| # export TWINE_PASSWORD="${{ secrets.PYPI_API_TOKEN }}" | |
| # twine upload --verbose mac-wheels/* | |
| # | |
| # release-pypi-macos-arm64: | |
| # name: Build wheels for Apple M chips | |
| # runs-on: macos-12 | |
| # steps: | |
| # - uses: actions/checkout@v4 | |
| # - name: Build wheels | |
| # uses: pypa/[email protected] | |
| # env: | |
| # CIBW_BUILD: cp311-macosx_arm64 | |
| # CIBW_BUILD_VERBOSITY: "1" | |
| # # Cross-platform build for arm64 wheels on x86 platform | |
| # CIBW_ARCHS_MACOS: "x86_64 universal2 arm64" | |
| # CMAKE_OSX_ARCHITECTURES: arm64 | |
| # with: | |
| # output-dir: mac-wheels | |
| # - name: List available wheels | |
| # run: | | |
| # ls mac-wheels | |
| # - name: Publish to PyPI | |
| # run: | | |
| # pip3 install twine | |
| # export TWINE_USERNAME=__token__ | |
| # export TWINE_PASSWORD="${{ secrets.PYPI_API_TOKEN }}" | |
| # twine upload --verbose mac-wheels/* |