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Fix sandpit CI
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Finlay Clark committed Sep 1, 2023
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2 changes: 1 addition & 1 deletion .github/workflows/Sandpit_exs.yml
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Expand Up @@ -35,7 +35,7 @@ jobs:

- name: Install dependency
run: |
mamba install -c conda-forge -c openbiosim/label/main biosimspace python=3.8 ambertools gromacs "sire=2023.2.2" alchemlyb pytest pyarrow "typing-extensions!=4.6.0" openff-interchange pint=0.21 "rdkit<2023" "jaxlib>0.3.7" tqdm scikit-learn
mamba install -c conda-forge -c openbiosim/label/main biosimspace python=3.8 ambertools gromacs "sire>=2023.2" alchemlyb pytest pyarrow "typing-extensions!=4.6.0" openff-interchange pint=0.21 "rdkit<2023" "jaxlib>0.3.7" tqdm
python -m pip install git+https://github.com/Exscientia/MDRestraintsGenerator.git
# For the testing of BSS.FreeEnergy.AlchemicalFreeEnergy.analysis
python -m pip install https://github.com/alchemistry/alchemtest/archive/master.zip
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