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cp2k cell

cp2k cell #20

Workflow file for this run

name: Unit Test Workflow
on: [push, pull_request]
jobs:
test:
runs-on: ubuntu-20.04
strategy:
matrix:
python-version: [3.6, 3.7, 3.8, 3.9, "3.10"]
steps:
- uses: actions/checkout@v3
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v3
with:
python-version: ${{ matrix.python-version }}
- name: Install dependencies
run: |
pip install -r requirements.txt
- name: Run unit tests
run: |
python -m unittest discover xyz_frame_extractor/tests