Update forces.py (#69) #97
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name: Run pytest | |
on: [push] | |
jobs: | |
build: | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Set up Python 3.9 | |
uses: actions/setup-python@v1 | |
with: | |
python-version: 3.9 | |
- uses: s-weigand/setup-conda@v1 | |
with: | |
python-version: 3.9 | |
activate-conda: true | |
- run: conda --version | |
- run: which python | |
- run: pwd | |
- run: ls -la | |
- name: Install dependencies | |
run: | | |
sudo apt-get install build-essential | |
conda install -c conda-forge openmm | |
conda install pip | |
pip install cython | |
pip install -r requirements.txt | |
pip install -e . | |
conda install -c conda-forge libstdcxx-ng=12 | |
- name: Test with pytest | |
run: | | |
pytest |