linting #3835
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: | |
| push: | |
| branches: [main] | |
| pull_request: | |
| branches: [main] | |
| jobs: | |
| check-enums: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| ref: ${{ github.event.pull_request.head.ref }} | |
| fetch-depth: 0 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.10" | |
| cache: pip | |
| - name: Install dependencies | |
| run: | | |
| pip install --upgrade pip pip-tools black ruamel.yaml | |
| pip install --user --no-deps -e ./emmet-core | |
| - name: Generate enums and check output | |
| id: enums | |
| shell: bash -l {0} | |
| run: | | |
| set -e | |
| python emmet-core/dev_scripts/generate_enums.py | |
| black emmet-core/emmet/core/*/calc_types/enums.py | |
| echo "count=$(git diff --exit-code --quiet HEAD emmet-core/emmet/core/*/calc_types/enums.py || echo "1")" >> $GITHUB_OUTPUT | |
| echo "files=$(git ls-files --exclude-standard --others emmet-core/emmet/core/*/calc_types/enums.py | wc -l | xargs)" >> $GITHUB_OUTPUT | |
| - name: Commit & push enums changes | |
| shell: bash -l {0} | |
| run: | | |
| set -e | |
| if [[ "${{ steps.enums.outputs.count }}" != "" || "${{ steps.enums.outputs.files }}" != "0" ]]; then | |
| git config user.name github-actions | |
| git config user.email [email protected] | |
| git add emmet-core/emmet/core/*/calc_types/enums.py | |
| git commit -m "[automated commit] update calc type enums" | |
| git push | |
| else | |
| echo "No changes detected in enum files." | |
| fi | |
| test: | |
| name: ${{ matrix.package }} (${{ matrix.os }}/py${{ matrix.python-version }}) | |
| needs: check-enums | |
| 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: | |
| ref: ${{ github.event.pull_request.head.ref }} | |
| 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 | |
| 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${{ matrix.python-version }}_extras.txt | |
| env: | |
| CC: gcc-10 | |
| CXX: g++-10 | |
| - name: Install editable emmet-core if needed | |
| shell: bash -l {0} | |
| if: matrix.package != 'emmet-core' | |
| run: python${{ 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 |