Installation fails in Python 3.12 (Windows); possibly due to old versioneer version in torsiondrive fork

[jcrozum]

Trying to install using Python 3.12 gives the following error:

AttributeError: module 'configparser' has no attribute 'SafeConfigParser'. Did you mean: 'RawConfigParser'?

I traced this to the file here: https://github.com/dmejiar/torsiondrive/blob/master/versioneer.py

The version upstream (https://github.com/lpwgroup/torsiondrive/blob/master/versioneer.py) is updated for 3.12.

[kimdn]

Thank you for your report @jcrozum . I've used briefly PTM_psi briefly either at my mac or linux. Can you use non-windows (maybe deception) for now?

[jcrozum]

Thank you for your report @jcrozum . I've used briefly PTM_psi briefly either at my mac or linux. Can you use non-windows (maybe deception) for now?

I think the issue is with the Python version, not with the OS. So yes, for now I can use an older version of Python (on any OS should work).

[kimdn]

Thank you for your report @jcrozum . I've used briefly PTM_psi briefly either at my mac or linux. Can you use non-windows (maybe deception) for now?

I think the issue is with the Python version, not with the OS. So yes, for now I can use an older version of Python (on any OS should work).

I see.
FYI, I've used python3.9 before

[jcrozum]

I was able to install this in Python 3.10, but also needed to run pip install prody to get it to import. I also had to modify the tutorial slightly to get it to work:

I think that

from ptmpsi.polymers import gen_pdb

should be

from ptmpsi.polymers.tools import gen_pdb

[neffrw]

@jcrozum What branch of PTM-Psi are you using?

[jcrozum]

@jcrozum What branch of PTM-Psi are you using?

The master branch, I believe. I ran this:

> git clone https://github.com/pnnl/PTMPSI.git PTMPSI_git