Workarounds for Cray compilers #128
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| name: wheel | |
| on: | |
| push: | |
| pull_request: | |
| workflow_dispatch: | |
| release: | |
| types: [published] | |
| jobs: | |
| source: | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Setup Python | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: assets/ci/build-env.yaml | |
| - run: | | |
| meson setup _build | |
| meson dist -C _build --no-tests --include-subprojects | |
| mv _build/meson-dist/*.tar.xz . | |
| - uses: actions/upload-artifact@v4 | |
| with: | |
| name: dftd3-source | |
| path: ./*.tar.xz | |
| retention-days: 5 | |
| sdist: | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Setup Python | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: assets/ci/python-env.yaml | |
| create-args: >- | |
| meson-python | |
| python-build | |
| - name: Reorganize repository | |
| run: | | |
| git config user.email "" | |
| git config user.name "dummy" | |
| git subtree add --prefix python/subprojects/s-dftd3 . HEAD | |
| git mv {assets,python/dftd3}/parameters.toml | |
| git mv python/{mesonpep517,pyproject}.toml | |
| git commit -m "Python dist" | |
| - run: | | |
| python -m build python/ --sdist --outdir . -n | |
| - uses: actions/upload-artifact@v4 | |
| with: | |
| name: dftd3-python-sdist | |
| path: ./*.tar.gz | |
| retention-days: 5 | |
| wheels: | |
| needs: | |
| - sdist | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: | |
| - ubuntu-latest | |
| - windows-latest | |
| - macos-12 | |
| python: ['38', '39', '310', '311'] | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| # Used to host cibuildwheel | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.x' | |
| - name: Install cibuildwheel | |
| run: python -m pip install cibuildwheel==2.18.1 | |
| - name: Download sdist | |
| uses: actions/download-artifact@v4 | |
| with: | |
| name: dftd3-python-sdist | |
| - name: Build wheels | |
| run: python -m cibuildwheel --output-dir . *.tar.gz | |
| env: | |
| CIBW_ARCHS: auto64 | |
| CIBW_BUILD: "*${{ matrix.python }}-*" | |
| CIBW_BUILD_VERBOSITY: 1 | |
| CIBW_ARCHS_MACOS: x86_64 | |
| CIBW_ENVIRONMENT_MACOS: CC=gcc-11 CXX=g++-11 FC=gfortran-11 MACOSX_DEPLOYMENT_TARGET=12.0 | |
| CIBW_BEFORE_BUILD_WINDOWS: choco upgrade mingw && pip install delvewheel | |
| CIBW_REPAIR_WHEEL_COMMAND_WINDOWS: "delvewheel show {wheel} && delvewheel repair -w {dest_dir} {wheel} --no-mangle-all" | |
| - uses: actions/upload-artifact@v4 | |
| with: | |
| name: dftd3-python-${{ matrix.os }}-${{ matrix.python }} | |
| path: "*.whl" | |
| release: | |
| needs: | |
| - source | |
| - sdist | |
| - wheels | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Download artifacts | |
| uses: actions/download-artifact@v4 | |
| with: | |
| path: ${{ github.workspace }} # This will download all files | |
| - name: Create SHA256 checksums | |
| run: | | |
| set -ex | |
| for output in dftd3*/*dftd3*; do | |
| pushd $(dirname "$output") | |
| sha256sum $(basename "$output") | tee $(basename "$output").sha256 | |
| popd | |
| done | |
| - name: Copy release artifacts | |
| run: | | |
| mkdir dist/ | |
| cp -v dftd3*/dftd3*.whl dftd3*/dftd3*.tar.gz dist/ | |
| - name: Publish to Test PyPI | |
| if: ${{ github.event_name == 'release' }} | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| user: __token__ | |
| password: ${{ secrets.TEST_PYPI_TOKEN }} | |
| repository_url: https://test.pypi.org/legacy/ | |
| - name: Upload assets | |
| uses: svenstaro/upload-release-action@v2 | |
| if: ${{ github.event_name == 'release' }} | |
| with: | |
| repo_token: ${{ secrets.GITHUB_TOKEN }} | |
| file: dftd3*/*dftd3* | |
| file_glob: true | |
| tag: ${{ github.ref }} | |
| overwrite: true | |
| - name: Publish to PyPI | |
| if: ${{ github.event_name == 'release' }} | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| user: __token__ | |
| password: ${{ secrets.PYPI_TOKEN }} |