Fix antisite generation in mixed-valence systems #1031
Workflow file for this run
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| 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 |