Make MaterialsProjectDFTMixingScheme reproducible; match structures…
#1321
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| name: Deploy Jekyll with GitHub Pages dependencies preinstalled | |
| on: | |
| push: | |
| branches: ["main"] | |
| workflow_dispatch: # enable manual workflow execution | |
| # Triggered by materialsproject/pymatgen-core's release workflow so the | |
| # combined API docs pick up the latest pymatgen-core release without a | |
| # commit to this repo. Payload carries `version` + `release_url`. | |
| repository_dispatch: | |
| types: [pymatgen-core-release] | |
| # Set permissions of the GITHUB_TOKEN to allow deployment to GitHub Pages | |
| permissions: | |
| contents: read | |
| pages: write | |
| id-token: write | |
| # Allow only one concurrent deployment, skipping runs queued between the run in-progress and latest queued. | |
| # However, do NOT cancel in-progress runs as we want to allow these production deployments to complete. | |
| concurrency: | |
| group: "pages" | |
| cancel-in-progress: false | |
| jobs: | |
| build: | |
| # prevent this action from running on forks | |
| if: github.repository == 'materialsproject/pymatgen' | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout pymatgen | |
| uses: actions/checkout@v6 | |
| - name: Checkout pymatgen-core at latest main | |
| # Always pull the tip of pymatgen-core main rather than the pinned submodule | |
| # so a pymatgen-core release (via repository_dispatch) rebuilds against the | |
| # newly tagged code without a submodule-bump commit here. | |
| uses: actions/checkout@v6 | |
| with: | |
| repository: materialsproject/pymatgen-core | |
| ref: main | |
| path: pymatgen-core | |
| - name: Set up Python | |
| uses: actions/setup-python@v6 | |
| with: | |
| python-version: "3.12" | |
| - name: Install UV | |
| uses: astral-sh/setup-uv@v8.1.0 | |
| - name: Install pymatgen with docs dependencies | |
| run: uv sync --group docs | |
| - name: Generate Sphinx API docs | |
| working-directory: docs | |
| run: | | |
| # Merge pymatgen-core and pymatgen extension trees into one path. Running sphinx-apidoc | |
| # twice overwrites pymatgen.rst; a single apidoc pass over the merged tree lists all modules. | |
| MERGED=".apidoc_merge/pymatgen" | |
| rm -rf .apidoc_merge | |
| mkdir -p "$MERGED" | |
| rsync -a ../pymatgen-core/src/pymatgen/ "$MERGED/" | |
| rsync -a ../src/pymatgen/ "$MERGED/" | |
| echo ".. This file is required as the Sphinx master_doc entry point. Content is generated by sphinx-apidoc." > apidoc/index.rst | |
| # -d 1 keeps toctree maxdepth at one level so the namespace landing page only lists | |
| # first-level packages; each package page still renders its own modules inline. | |
| uv run sphinx-apidoc --implicit-namespaces -M -d 1 -o apidoc -f "$MERGED" | |
| uv run sphinx-build -b html apidoc html | |
| rm -rf .apidoc_merge | |
| rm apidoc/*.rst | |
| mv html/pymatgen*.html . | |
| mv html/modules.html . | |
| mv html/objects.inv . | |
| # Sphinx's in-page search needs both the generated index and the | |
| # matching search.html (overwrites the committed placeholder so it | |
| # references the same _static/ assets as the API pages). | |
| mv html/search.html . | |
| mv html/searchindex.js . | |
| cp -r html/_static _static | |
| touch .nojekyll | |
| - name: Setup Pages | |
| uses: actions/configure-pages@v6 | |
| - name: Build with Jekyll | |
| uses: actions/jekyll-build-pages@v1.0.13 | |
| with: | |
| source: ./docs | |
| destination: ./_site | |
| - name: Upload artifact | |
| uses: actions/upload-pages-artifact@v5 | |
| deploy: | |
| environment: | |
| name: github-pages | |
| url: ${{ steps.deployment.outputs.page_url }} | |
| runs-on: ubuntu-latest | |
| needs: build | |
| steps: | |
| - name: Deploy to GitHub Pages | |
| id: deployment | |
| uses: actions/deploy-pages@v5 |