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Update openmm installation instructions for newer Python versions
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@lauraluebbert
lauraluebbert authored Jan 23, 2025
1 parent 517dedd commit db27b83
Showing 1 changed file with 21 additions and 6 deletions.
27 changes: 21 additions & 6 deletions gget/gget_alphafold.py
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Original file line number Diff line number Diff line change
Expand Up @@ -245,8 +245,13 @@ def alphafold(
Importing 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.)
"""
)
Expand Down Expand Up @@ -318,8 +323,13 @@ def alphafold(
Importing 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.)
"""
)
Expand All @@ -335,8 +345,13 @@ def alphafold(
Importing 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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