pele/.github/workflows/docs.yml at main · pele-python/pele · GitHub

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name: Documentation

on:
  push:
    branches: [main, docs-autogeneration]
  pull_request:
    branches: [main]
  workflow_dispatch:

permissions:
  contents: read

concurrency:
  group: docs-${{ github.ref }}
  cancel-in-progress: true

jobs:
  build:
    name: Build documentation
    runs-on: ubuntu-24.04
    timeout-minutes: 30
    permissions:
      contents: read
      pages: read
    defaults:
      run:
        shell: bash -el {0}
    env:
      OMP_NUM_THREADS: "1"
      OPENBLAS_NUM_THREADS: "1"
      MPLBACKEND: Agg
      QT_QPA_PLATFORM: offscreen
    steps:
      - uses: actions/checkout@v4
        with:
          persist-credentials: false

      - uses: conda-incubator/setup-miniconda@v3
        with:
          miniforge-version: latest
          activate-environment: ""

      - name: Install native dependencies
        run: |
          conda create -y -n pele-docs --override-channels -c conda-forge \
            python=3.12 pip sundials eigen blas-devel pkg-config doxygen=1.17
          sudo apt-get update
          sudo apt-get install -y gcc g++ gfortran libglu1-mesa freeglut3-dev

      - name: Install current package and documentation tools
        run: |
          conda activate pele-docs
          python -m pip install '.[docs,gui]' \
            -Csetup-args=-Dnative=false -Csetup-args=-Dgui=enabled \
            -Csetup-args=-Dlammps=disabled -Ccompile-args=-j1

      - name: Build Python and C++ documentation
        run: |
          conda activate pele-docs
          make -C doc check SPHINXOPTS='-n -W --keep-going -E -a'

      - name: Test documentation checker and getting-started example
        run: |
          conda activate pele-docs
          python -I -m unittest discover -s doc/tests

      - uses: actions/upload-artifact@v4
        with:
          name: pele-documentation
          path: doc/_build/html
          if-no-files-found: error
          retention-days: 14

      - uses: actions/configure-pages@v5
        if: >-
          vars.DOCS_PUBLISH_ENABLED == 'true' && github.repository == 'pele-python/pele' &&
          github.event_name != 'pull_request' &&
          (github.ref == 'refs/heads/main' ||
          (github.ref == 'refs/heads/docs-autogeneration' && vars.DOCS_PUBLISH_BRANCH == 'docs-autogeneration'))

      - uses: actions/upload-pages-artifact@v3
        with:
          path: doc/_build/html
          retention-days: 14

  deploy:
    name: Publish documentation
    # A temporary branch switch allows an approved first deployment before merging.
    if: >-
      vars.DOCS_PUBLISH_ENABLED == 'true' && github.repository == 'pele-python/pele' &&
      github.event_name != 'pull_request' &&
      (github.ref == 'refs/heads/main' ||
      (github.ref == 'refs/heads/docs-autogeneration' && vars.DOCS_PUBLISH_BRANCH == 'docs-autogeneration'))
    needs: build
    runs-on: ubuntu-24.04
    permissions:
      contents: read
      pages: write
      id-token: write
    environment:
      name: github-pages
      url: ${{ steps.deployment.outputs.page_url }}
    steps:
      - uses: actions/deploy-pages@v4
        id: deployment