Force pp="PBE" when using the PBE pseudopotentials
#14925
Workflow file for this run
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| name: docs | |
| on: | |
| push: | |
| branches: [main] | |
| pull_request: | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.ref }} | |
| cancel-in-progress: true | |
| permissions: | |
| contents: write | |
| jobs: | |
| docs: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Check out repo | |
| uses: actions/checkout@v6 | |
| - name: Set up Python | |
| uses: actions/setup-python@v6 | |
| with: | |
| python-version: "3.12" | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - name: Install pip packages | |
| run: | | |
| pip install uv | |
| uv pip install --system "quacc[docs] @ ." | |
| - name: Generate reference pages | |
| run: python .github/scripts/gen_ref_pages.py | |
| - name: Generate zensical.toml | |
| run: python .github/scripts/gen_zensical_toml.py | |
| - name: Build docs | |
| run: | | |
| zensical build --clean | |
| id: build_docs | |
| - name: Deploy to GitHub Pages | |
| uses: peaceiris/actions-gh-pages@v4 | |
| if: github.ref == 'refs/heads/main' && steps.build_docs.outcome == 'success' | |
| with: | |
| github_token: ${{ secrets.GITHUB_TOKEN }} | |
| publish_dir: ./site |