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Update openmm installation instructions for newer Python versions
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lauraluebbert authored Jan 23, 2025
1 parent 9b3bffa commit 517dedd
Showing 1 changed file with 8 additions and 3 deletions.
11 changes: 8 additions & 3 deletions gget/gget_setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -230,11 +230,16 @@ def setup(module, verbose=True, out=None):
except ImportError as e:
raise ImportError(
f"""
Trying to import openmm resulted in the following error:
Trying to import openmm resulted in the following error:
{e}
Please install AlphaFold third-party dependency openmm v7.5.1 (or v7.7.0 for Python >= 3.10) by running the following command from the command line:
'conda install -qy conda==4.13.0 && conda install -qy -c conda-forge openmm=7.5.1' (or 'openmm=7.7.0' for Python >= 3.10)
Please install AlphaFold third-party dependency openmm by running the following command from the command line:
For Python version < 3.10:
'conda install -qy conda==4.13.0 && conda install -qy -c conda-forge openmm=7.5.1'
For Python version = 3.10:
'conda install -qy conda==24.1.2 && conda install -qy -c conda-forge openmm=7.7.0'
For Python version >= 3.11:
'conda install -qy conda==24.11.1 && conda install -qy -c conda-forge openmm=8.0.0'
(Recommendation: Follow with 'conda update -qy conda' to update conda to the latest version afterwards.)
"""
)
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