I have a python script (test.py) that requests the following imports:
from MolKit import Read
The module must be installed via ADFR Suite which creates a separate directory for the module with the _init_.py file at the top. And, I have edited the ~/.bashrc to append:
export PYTHONPATH="${PYTHONPATH}:/home/ThoughtfulHistorian/ADFRsuite-1.0/ADFRsuite_x86_64Linux_1.0/CCSBpckgs/MolKit"
Before running source ~/.bashrc. Still, the script returns an import failure:
File "test.py", line 2, in <module>
from MolKit import Read
ModuleNotFoundError: No module named 'MolKit'
I am running Python 3.8.10 on Ubuntu 20.04.4 LTS.
>Solution :
It is the directory containing the package directory which needs to be on PYTHONPATH, not the package directory itself.
Instead of
export PYTHONPATH="${PYTHONPATH}:/home/ThoughtfulHistorian/ADFRsuite-1.0/ADFRsuite_x86_64Linux_1.0/CCSBpckgs/MolKit"
use
export PYTHONPATH="${PYTHONPATH}:/home/ThoughtfulHistorian/ADFRsuite-1.0/ADFRsuite_x86_64Linux_1.0/CCSBpckgs"