deploy-jupyter-book.yml

name: deploy-book

# Only run this when the main branch changes
on:
  push:
    branches:
    - main

  workflow_dispatch:

# This job installs dependencies, build the book, and pushes it to `gh-pages`
jobs:

  deploy-book:
    runs-on: ubuntu-latest

    steps:
    - uses: actions/checkout@v2
    - uses: s-weigand/setup-conda@v1
      with:
        python-version: 3.8

    - name: Install dependencies
      run: |
        conda install -c conda-forge pygraphviz
        cd package && python -m pip  --no-cache-dir install .
        pip install torch-scatter torch-sparse torch-cluster torch-spline-conv torch-geometric -f https://data.pyg.org/whl/torch-1.12.0+cpu.html
    - name: Build dmol-book package
      run: |
        pip install build
        cd package && python -m build --sdist --wheel --outdir dist/ .
    - name: Publish distribution 📦 to PyPI
      uses: pypa/gh-action-pypi-publish@release/v1
      continue-on-error: true
      with:
        password: ${{ secrets.PYPI_API_TOKEN }}
        packages_dir: package/dist/
    - name: Build the book
      run: env TF_CPP_MIN_LOG_LEVEL=3 jupyter-book build .
    - name: Deploy Jupyter book to GitHub pages
      uses: peaceiris/actions-gh-pages@v3.9.0
      with:
        github_token: ${{ secrets.GITHUB_TOKEN }}
        publish_dir: _build/html
        force_orphan: true
        cname: dmol.pub