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Merge pull request #296 from jungsdao/neb #115

Merge pull request #296 from jungsdao/neb

Merge pull request #296 from jungsdao/neb #115

Workflow file for this run

# This is testing the python versions *other than* the
# one in the QUIP Docker, which is 3.7.10 at the time
# of writing this. Coverage is disabled.
name: Build docs
# on all push actions AND can be triggered manually as well
on:
push:
branches:
- main
workflow_dispatch:
jobs:
build-docs:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: [ 3.8 ]
max-parallel: 5
env:
coverage-on-version: 3.8
use-mpi: True
steps:
- uses: actions/checkout@v2
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v2
with:
python-version: ${{ matrix.python-version }}
- name: Add conda to system path
run: |
# $CONDA is an environment variable pointing to the root of the miniconda directory
echo $CONDA/bin >> $GITHUB_PATH
# - name: Install Dependencies from Conda
# run: conda env update --file=devtools/conda-envs/environment.yml --name=base
- name: Install pip from Conda
run: conda install pip
- name: Install phono3py from Conda forge
run: conda install -c conda-forge phono3py h5py
- name: Install dependencies from pip (some will already be taken care of by conda's phonop3py and its dependencies)
run: pip install wheel setuptools ase numpy scipy click matplotlib pandas pyyaml spglib phonopy phono3py rdkit-pypi flake8 pytest pytest-cov nbsphinx ipython
- name: Install Quippy from PyPI
run: pip install quippy-ase
- name: Install wfl (expyre and universalSOAP are dependencies)
run: pip install .
- name: Install pandoc
run: sudo apt-get install pandoc
- name: Build documentation
run: |
pip install sphinx sphinx-book-theme docutils==0.16 sphinx-click myst-parser
pip install --upgrade jinja2
cd docs
make html
- name: Deploy documentation
uses: peaceiris/actions-gh-pages@v3
with:
github_token: ${{ secrets.GITHUB_TOKEN }}
publish_dir: docs/build/html