Initiate rebased branch for lattice dynamics #262
Workflow file for this run
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name: Tests | |
on: | |
push: | |
branches: [main] | |
pull_request: | |
branches: [main] | |
jobs: | |
test: | |
if: github.repository_owner == 'hackingmaterials' # don't run on forks | |
runs-on: ubuntu-latest | |
services: | |
mongodb: | |
image: mongo | |
ports: | |
- 27017:27017 | |
steps: | |
- name: Checkout repo | |
uses: actions/checkout@v3 | |
- name: Setup Python | |
uses: actions/setup-python@v4 | |
with: | |
cache: pip | |
cache-dependency-path: | | |
setup.py | |
python-version: 3.8 | |
- name: Install OpenBabel | |
run: | | |
# underlying C++ lib needed for Python openbabel wrapper installed by `pip install .` | |
sudo apt-get install libopenbabel-dev | |
# https://github.com/openbabel/openbabel/issues/2408#issuecomment-1014466193 | |
sudo ln -s /usr/include/openbabel3 /usr/local/include/openbabel3 | |
- name: Install phono3py | |
run: | | |
conda install -c conda-forge phono3py | |
- name: Install dependencies | |
run: | | |
pip install .[complete] | |
- name: pytest | |
run: | | |
pytest --ignore=atomate/qchem/test_files --cov=atomate --cov-report html:coverage_reports atomate |