Running metadynamics with PLUMED and metatensor-defined collective variables #414
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| name: Documentation | |
| on: | |
| push: | |
| branches: [main] | |
| tags: ["*"] | |
| pull_request: | |
| # Check all PR | |
| schedule: | |
| - cron: '0 8 * * 1' # run every Monday at 8am UTC | |
| jobs: | |
| setup: | |
| runs-on: ubuntu-latest | |
| outputs: | |
| examplesmatrix: ${{ steps.collectExamples.outputs.examplesjson }} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - id: collectExamples | |
| run: | | |
| echo examplesjson=$(./src/get_examples.py) >> $GITHUB_OUTPUT | |
| generate-example: | |
| needs: setup | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| ${{ fromJson(needs.setup.outputs.examplesmatrix) }} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: setup Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| - name: install dependencies | |
| run: python -m pip install nox docutils | |
| - name: build example | |
| run: nox -e ${{ matrix.example-name }} | |
| - name: store example as a github artifact | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: example-${{ matrix.example-name }} | |
| path: docs/src/examples/* # folders for each example will be merged later | |
| overwrite: true # only keep the latest version of the example | |
| build-and-publish: | |
| needs: generate-example | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: setup Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.12" | |
| - name: install dependencies | |
| run: python -m pip install nox docutils | |
| - name: load github artifact for each example | |
| uses: actions/download-artifact@v4 | |
| with: | |
| path: docs/src/examples | |
| pattern: example-* | |
| merge-multiple: true | |
| - name: build documentation | |
| run: nox -e build_docs | |
| - name: store documentation as github artifact to be downloaded by users | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: documentation | |
| path: docs/build/html/* | |
| overwrite: true # only keep the latest version of the documentation | |
| - name: put documentation in the website | |
| run: | | |
| git clone https://github.com/$GITHUB_REPOSITORY --branch gh-pages gh-pages | |
| rm -rf gh-pages/.git | |
| cd gh-pages | |
| # deploys directly to the root of the website | |
| rm -rf * | |
| mv ../docs/build/html/* . | |
| - name: deploy to gh-pages | |
| if: github.event_name == 'push' | |
| uses: peaceiris/actions-gh-pages@v4 | |
| with: | |
| github_token: ${{ secrets.GITHUB_TOKEN }} | |
| publish_dir: ./gh-pages/ | |
| force_orphan: true |