Generate enums in Github Actions #3786
Workflow file for this run
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: testing | ||
| on: | ||
| workflow_dispatch: # Allow running on-demand | ||
| push: | ||
| branches: | ||
| - main | ||
| pull_request: | ||
| branches: | ||
| - main | ||
| jobs: | ||
| test: | ||
| name: ${{ matrix.package }} (${{ matrix.os }}/py${{ matrix.python-version }}) | ||
| runs-on: ${{ matrix.os }} | ||
| strategy: | ||
| matrix: | ||
| os: ["ubuntu-latest"] # TODO openbabel for windows and mac | ||
| package: ["emmet-core", "emmet-builders", "emmet-api"] | ||
| python-version: ["3.10", "3.11"] | ||
| steps: | ||
| - uses: actions/checkout@v4 | ||
| with: | ||
| fetch-depth: 0 | ||
| # - name: Set up Miniconda | ||
| # uses: conda-incubator/setup-miniconda@v3 | ||
| # with: | ||
| # auto-update-conda: true | ||
| # python-version: ${{ matrix.python-version }} | ||
| # channels: anaconda, conda-forge | ||
| # | ||
| # - name: Install all conda requirements | ||
| # shell: bash -l {0} | ||
| # run: conda install openbabel openff-toolkit>=0.14.0 openff-interchange>=0.3.22 sqlite -y | ||
| - name: Install Python dependencies | ||
| shell: bash -l {0} | ||
| run: | | ||
| python${{ matrix.python-version }} -m pip install --upgrade pip pip-tools pre-commit | ||
| python${{ matrix.python-version }} -m pip install --user `grep numpy ${{ matrix.package }}/requirements/${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt` | ||
| python${{ matrix.python-version }} -m pip install --user -r ${{ matrix.package }}/requirements/${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt | ||
| env: | ||
| CC: gcc-10 | ||
| CXX: g++-10 | ||
| - name: generate Enums | ||
| shell: bash -l {0} | ||
| if: matrix.package == 'emmet-core' | ||
| continue-on-error: true | ||
| run: | | ||
| python${{ matrix.python-version }} emmet-core/emmet/core/qchem/calc_types/generate.py | ||
| python${{ matrix.python-version }} emmet-core/emmet/core/vasp/calc_types/generate.py | ||
| pre-commit run --all-files | ||
| - name: Check Enum outputs | ||
| id: enums | ||
| shell: bash -l {0} | ||
| if: matrix.package == 'emmet-core' | ||
| run: | | ||
| echo "count=$(git diff-index HEAD emmet-core/emmet/core/*/calc_types/enums.py | wc -l | xargs)" >> $GITHUB_OUTPUT | ||
| echo "files=$(git ls-files --exclude-standard --others emmet-core/emmet/core/*/calc_types/enums.py | wc -l | xargs)" >> $GITHUB_OUTPUT | ||
| - name: Debug | ||
| run: echo "${{ steps.enums.outputs.count }}" | ||
| run: echo "${{ steps.enums.outputs.files }}" | ||
| # - name: Extract branch name | ||
| # id: extract_branch | ||
| # shell: bash -l {0} | ||
| # run: echo "branch=${GITHUB_HEAD_REF:-${GITHUB_REF#refs/heads/}}" >> $GITHUB_OUTPUT | ||
| # | ||
| # - name: commit & push enums changes | ||
| # if: matrix.package == 'emmet-core' | ||
| # shell: bash -l {0} | ||
| # run: | | ||
| # git config user.name github-actions | ||
| # git config user.email [email protected] | ||
| # git add emmet-core/emmet/core/*/calc_types/enums.py | ||
| # git commit --allow-empty -m "update calc type enums" | ||
| # git push origin ${{ steps.extract_branch.outputs.branch }} | ||
| # | ||
| # - name: Install editable emmet-core if needed | ||
| # shell: bash -l {0} | ||
| # if: matrix.package != 'emmet-core' | ||
| # run: python${{ matrix.python-version }} -m pip install --user --no-deps ./emmet-core | ||
| # | ||
| # - name: Install ${{ matrix.package }} | ||
| # shell: bash -l {0} | ||
| # run: python${{ matrix.python-version }} -m pip install --user --no-deps -e ./${{ matrix.package }} | ||
| # | ||
| # - name: Lint with mypy | ||
| # shell: bash -l {0} | ||
| # run: python${{ matrix.python-version }} -m mypy --namespace-package ${{ matrix.package }}/emmet | ||
| # | ||
| # - name: Test with pytest | ||
| # if: always() # run tests even if linting failed | ||
| # shell: bash -l {0} | ||
| # run: python${{ matrix.python-version }} -m pytest --cov=emmet --cov-report=xml ${{ matrix.package }}/tests | ||
| # | ||
| # - uses: codecov/[email protected] | ||
| # with: | ||
| # token: ${{ secrets.CODECOV_TOKEN }} | ||
| # file: ./coverage.xml | ||
