Python failure to manually import module-CodePudding

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.

CodePudding user response：

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"