Fix for interstitial elements without known oxidation states #1036
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 | |
| tags: | |
| - "v*" | |
| pull_request: | |
| branches: | |
| - main | |
| jobs: | |
| lint: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.11" | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install -e .[dev] | |
| pre-commit install | |
| - name: Lint | |
| run: | | |
| pre-commit run --all-files --show-diff-on-failure | |
| test: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ["3.10", "3.11"] | |
| env: | |
| PMG_MAPI_KEY: ${{ secrets.PMG_MAPI_KEY }} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install -e .[tests,optional] | |
| - name: Test Modules | |
| run: pytest --cov=pymatgen --cov-report=xml | |
| - name: Test Notebooks | |
| run: pytest --nbmake ./docs/source/content | |
| - uses: codecov/codecov-action@v1 | |
| if: matrix.python-version == 3.10 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: ./coverage.xml | |
| docs: | |
| runs-on: ubuntu-latest | |
| env: | |
| PMG_MAPI_KEY: ${{ secrets.PMG_MAPI_KEY }} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Install pandoc | |
| run: sudo apt-get install pandoc | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.10" | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install -e .[docs] | |
| - name: Build | |
| run: jupyter-book build --path-output docs docs/source | |
| # Develop branch only | |
| - name: Deploy | |
| if: github.ref == 'refs/heads/main' | |
| uses: peaceiris/actions-gh-pages@v3 | |
| with: | |
| deploy_key: ${{ secrets.ACTIONS_DEPLOY_KEY }} | |
| publish_dir: ./docs/_build/html |