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Initiate rebased branch for lattice dynamics #245

Initiate rebased branch for lattice dynamics

Initiate rebased branch for lattice dynamics #245

Workflow file for this run

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 dependencies
run: |
pip install .[complete]
- name: pytest
run: |
pytest --ignore=atomate/qchem/test_files --cov=atomate --cov-report html:coverage_reports atomate