Add +/- switch for dissociation sign convention #176
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| name: Build and test UEDGE - write wheel files if tests pass | |
| on: [push, pull_request] | |
| jobs: | |
| run-all-tests: | |
| name: Runs test ${{ matrix.tests }} | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: [3.9] | |
| tests: [fulltests, unittests/D+C, unittests/D_mols, unittests/D_only, unittests/slab_D_only] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install pip dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install "forthon>=0.10.7" numpy h5py | |
| python -m pip install flake8 | |
| python -m pip install pytest-isolate pytest-xdist | |
| - name: Build UEDGE | |
| run: | | |
| python -m pip install . | |
| - name: Return to pytests branch | |
| uses: actions/checkout@v4 | |
| with: | |
| ref: pytests-develop | |
| repository: LLNL/UEDGE | |
| - name: Test with pytest | |
| run: | | |
| # Create a clean UEDGE instance for every test | |
| pytest --isolate --tb=native -s pytests/${{ matrix.tests }} | |
| build_wheels: | |
| name: Build wheels on ${{ matrix.os }} for Python ${{ matrix.pyver }} | |
| if: false | |
| # if: github.event_name == 'pull_request' | |
| needs: run-all-tests | |
| runs-on: ${{ matrix.os }} | |
| continue-on-error: true | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-13, macos-14] | |
| pyver: [cp38, cp39, cp310, cp311, cp312] | |
| steps: | |
| - name: Checks out repo | |
| uses: actions/checkout@v4 | |
| - name: Symlink gfortran for x86 macOS | |
| if: matrix.os == 'macos-13' | |
| run: | | |
| # make sure gfortran is available | |
| ln -s /usr/local/bin/gfortran-13 /usr/local/bin/gfortran | |
| gfortran --version | |
| - name: Symlink gfortran for ARM macOS | |
| if: matrix.os == 'macos-14' | |
| run: | | |
| # make sure gfortran is available | |
| ln -s /opt/homebrew/bin/gfortran-13 /opt/homebrew/bin/gfortran | |
| gfortran --version | |
| - name: Build wheels | |
| if: ${{ !(matrix.os == 'macos-14' && matrix.pyver == 'cp37') }} | |
| uses: pypa/cibuildwheel@v2.17.0 | |
| env: | |
| CIBW_BUILD: ${{matrix.pyver}}-* | |
| CIBW_ARCHS_LINUX: auto | |
| CIBW_SKIP: "pp37-* cp37-* *-win32 *-manylinux_i686" | |
| CIBW_BEFORE_BUILD: pip install numpy 'forthon>=0.10.7' 'build<0.10.0' | |
| - name: Upload Artifacts | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: cibw-wheels-${{ matrix.os }}-${{ matrix.pyver }}-${{ strategy.job-index }} | |
| path: ./wheelhouse/*.whl | |
| build_wheels_pypy: | |
| name: Build PyPy wheels on ${{ matrix.os }} | |
| if: false | |
| # if: github.event_name == 'pull_request' | |
| needs: run-all-tests | |
| runs-on: ${{ matrix.os }} | |
| continue-on-error: true | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-13, macos-14] | |
| steps: | |
| - name: Checks out repo | |
| uses: actions/checkout@v4 | |
| - name: Symlink gfortran for x86 macOS | |
| if: matrix.os == 'macos-13' | |
| run: | | |
| # make sure gfortran is available | |
| ln -s /usr/local/bin/gfortran-13 /usr/local/bin/gfortran | |
| gfortran --version | |
| - name: Symlink gfortran for ARM macOS | |
| if: matrix.os == 'macos-14' | |
| run: | | |
| # make sure gfortran is available | |
| ln -s /opt/homebrew/bin/gfortran-13 /opt/homebrew/bin/gfortran | |
| gfortran --version | |
| - name: Build wheels | |
| uses: pypa/cibuildwheel@v2.17.0 | |
| env: | |
| CIBW_BUILD: pp* | |
| CIBW_SKIP: "pp37-* cp37-* *-win32 *-manylinux_i686" | |
| CIBW_BEFORE_BUILD: pip install numpy 'forthon>=0.10.7' 'build<0.10.0' | |
| - name: Upload Artifacts | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: cibw-wheels-pyp-${{ matrix.os }}-${{ strategy.job-index }} | |
| path: ./wheelhouse/*.whl | |
| build_wheels_cross: | |
| name: Build Linux cross-wheels | |
| if: false | |
| # needs: run-all-tests | |
| runs-on: ubuntu-latest | |
| continue-on-error: true | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| pyver: [cp38, cp39, cp310, cp311, cp312] | |
| arch: [aarch64, ppc64le] | |
| steps: | |
| - name: Checks out repo | |
| uses: actions/checkout@v4 | |
| - name: Set up QEMU for multi-arch build | |
| uses: docker/setup-qemu-action@v2 | |
| - name: Build wheels | |
| uses: pypa/cibuildwheel@v2.17.0 | |
| env: | |
| CIBW_BUILD: ${{matrix.pyver}}-* | |
| CIBW_ARCHS: ${{matrix.arch}} | |
| CIBW_SKIP: "pp37-* cp37-* *-win32 *-manylinux_i686" | |
| CIBW_BEFORE_BUILD: pip install numpy 'forthon>=0.10.7' 'build<0.10.0' | |
| - name: Upload Artifacts | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: cibw-cross-wheels-${{ matrix.arch }}-${{ matrix.pyver }}-${{ strategy.job-index }} | |
| path: ./wheelhouse/*.whl | |
| build_wheels_cross_pypy: | |
| name: Build Linux PyPy cross-wheels | |
| if: false | |
| # needs: run-all-tests | |
| runs-on: ubuntu-latest | |
| continue-on-error: true | |
| strategy: | |
| fail-fast: false | |
| steps: | |
| - name: Checks out repo | |
| uses: actions/checkout@v4 | |
| - name: Set up QEMU for multi-arch build | |
| uses: docker/setup-qemu-action@v2 | |
| - name: Build wheels | |
| uses: pypa/cibuildwheel@v2.17.0 | |
| env: | |
| CIBW_BUILD: pp* | |
| CIBW_SKIP: "pp37-* cp37-* *-win32 *-manylinux_i686" | |
| CIBW_BEFORE_BUILD: pip install numpy 'forthon>=0.10.7' 'build<0.10.0' | |
| - name: Upload Artifacts | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: cibw-cross-wheels-pypy-${{ strategy.job-index }} | |
| path: ./wheelhouse/*.whl | |
| gather_wheels: | |
| name: Gather built wheels | |
| if: false | |
| needs: [build_wheels, build_wheels_pypy] | |
| # if: github.event_name == 'pull_request' | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Download all Artifacts and merges them | |
| uses: actions/download-artifact@v4 | |
| with: | |
| path: wheels | |
| merge-multiple: true | |
| - name: Upload all Artifacts in a single Archive | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: all_wheels | |
| path: wheels |