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Description
A tester identified an issue with an uncaptured dependancy. They noted that they suspect this is only a problem because they were using a system without a gui. Given that describes most supercomputing clusters, we will need to investigate this as part of the next release.
The scripts can be run with python however there appears to be an uncaptured dependency for libXext which may need to be called out. Because of it I cannot run the scripts on my machine due to OS specific concerns. However a normal linux install with a GUI would likely run these just fine.
All polytop examples produce the same error for me:
polyconstruct/polytop_examples on main* via 🐍 v3.9.7
❯ conda-shell -c "conda activate polyconstruct; python ./linear_PEI.py"
Traceback (most recent call last):
File "/home/ve/polyconstruct/polytop_examples/./linear_PEI.py", line 8, in <module>
from polytop.Junction import Junction
File "/home/ve/polyconstruct/polytop/polytop/__init__.py", line 26, in <module>
from .Visualize import Visualize
File "/home/ve/polyconstruct/polytop/polytop/Visualize.py", line 7, in <module>
from rdkit.Chem import AllChem, Draw
File "/home/ve/.conda/envs/polyconstruct/lib/python3.10/site-packages/rdkit/Chem/Draw/__init__.py", line 21, in <module>
from rdkit.Chem.Draw import rdMolDraw2D
ImportError: libXext.so.6: cannot open shared object file: No such file or directory
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