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Merged
mimakaev merged 1 commit into from
Apr 16, 2025
Merged

Update pythonapp.yml #73

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10 changes: 5 additions & 5 deletions .github/workflows/pythonapp.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -8,23 +8,23 @@ jobs:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- name: Set up Python 3.9
- name: Set up Python 3.12
uses: actions/setup-python@v1
with:
python-version: 3.9
python-version: 3.12
- uses: s-weigand/setup-conda@v1
with:
python-version: 3.9
python-version: 3.12
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
sudo apt-get install build-essential
conda install pip
pip install openmm
pip install cython
pip install -r requirements.txt
pip install -e .
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