build_docs.yml

# Simple workflow for deploying static content to GitHub Pages
name: Deploy static content to Pages

on:
  # Runs on pushes targeting the default branch
  push:
    branches:
    - "master"
  pull_request:
    branches:
    - master

  # Allows you to run this workflow manually from the Actions tab
  workflow_dispatch:

# Sets permissions of the GITHUB_TOKEN to allow deployment to GitHub Pages
permissions:
  contents: read
  pages: write
  id-token: write

# Allow one concurrent deployment
concurrency:
  group: "pages"
  cancel-in-progress: true

jobs:
  build:
    strategy:
      matrix:
        include:
          - os: ubuntu-latest
            label: linux-64
            prefix: /usr/share/miniconda3/envs/vasp
    env:
      PUBLISH_DIR: docs/_build/html

    # https://github.com/marketplace/actions/setup-miniconda#use-a-default-shell
    defaults:
      run:
        shell: bash -l {0}

    name: Build vasp documentation ${{ matrix.label }}
    runs-on: ${{ matrix.os }}

    steps:
      - name: Checkout
        uses: actions/checkout@v4
      
      - name: Upgrade pip and setuptools
        run: |
          python3 -m pip install pip setuptools --upgrade
          
      # See: https://github.com/marketplace/actions/setup-miniconda
      - name: Setup Conda environment
        uses: conda-incubator/setup-miniconda@v3
        with:
          miniforge-version: latest
          channels: conda-forge
          activate-environment: vasp
          use-mamba: true
      
      - name: Set cache date
        run: echo "DATE=$(date +'%Y%m%d')" >> $GITHUB_ENV

      - uses: actions/cache@v4
        with:
          path: ${{ matrix.prefix }}
          key: ${{ matrix.label }}-conda-${{ hashFiles('environment.yml') }}-${{ env.DATE }}-${{ env.CACHE_NUMBER }}
        id: cache

      - name: Update environment
        run: mamba env update -n vasp -f environment.yml
        if: steps.cache.outputs.cache-hit != 'true'

      - name: Install dependencies
        run: python3 -m pip install ".[docs]"

      - name: Build docs
        run: jupyter book build -W docs

      - name: Upload artifact
        uses: actions/upload-pages-artifact@v3
        with:
          path: ${{ env.PUBLISH_DIR }}

  # Single deploy job since we're just deploying
  deploy:
    if: github.ref == 'refs/heads/master'
    needs: build
    environment:
      name: github-pages
      url: ${{ steps.deployment.outputs.page_url }}

    runs-on: ubuntu-latest

    steps:
      - name: Checkout
        uses: actions/checkout@v4

      - name: Setup Pages
        uses: actions/configure-pages@v5
      
      - name: Deploy to GitHub Pages
        id: deployment
        uses: actions/deploy-pages@v4