search

openkinome / kinoml

Structure-informed machine learning for kinase modeling
https://openkinome.org/kinoml/
MIT License
52 stars 21 forks source link

ImportError/GLIBC issue using Openeye 2023.2.3 #135

Open sukritsingh opened 6 months ago

sukritsingh commented 6 months ago

Noting this version-related issue for future posterity. Not necessarily an issue now but could be in the future:

Running anything related to OESpruce in the following manner (as an example): 

abl1_systems = abl1_featurizer.featurize(abl1_systems)

causes an ImportError in python with the resulting stack trace (I'm only pasting the bottom of the trace due to length): 

File ~/miniconda3/envs/kinoml/lib/python3.9/site-packages/openeye/libs/__init__.py:109, in OEGetModule(name)
    106 spec = importlib.machinery.PathFinder().find_spec(name, [OPENEYE_DLLS])
    108 # actually load the module
--> 109 mod = importlib.util.module_from_spec(spec)
    110 spec.loader.exec_module(mod)
    112 return mod

ImportError: /lib64/libc.so.6: version `GLIBC_2.28' not found (required by /home/lauj2/miniconda3/envs/kinoml/lib/python3.9/site-packages/openeye/libs/python3-linux-x64-g++10.x/liboespruce-1.5.3.3.so)

Looks like the latest versions of openeye-toolkits requires GLIBC >= 2.28. Currently our GLIBC on Lilac is version 2.17

This is resolved by installing openeye-toolkits versions 2021.2.0 up to 2023.1.1

It may be worth pinning the installation versions for now in the yaml installation file?