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Acellera / htmd

HTMD: Programming Environment for Molecular Discovery
https://software.acellera.com/docs/latest/htmd/index.html
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module 'propka.lib' has no attribute 'logger' #977

Closed shozebhaider closed 3 years ago

shozebhaider commented 3 years ago

This post is linked to Issue No.970. Propka.lib is being a serious issue while updating htmd. I usually create a separate environment for HTMD and then install all packages within the environment (as recommended in your post). When I update it, I usually remove the environment and do a reinstall. Propka.lib is messed up on fresh installation. This usually works if I do a fresh conda install. However, this is not always possible as I do not wish to delete other working envs. So is there a workaround to this issue?

stefdoerr commented 3 years ago

Did you install htmd with conda install htmd -c acellera -c psi4 -c conda-forge? Just to make sure you included conda forge in the installation. Can you also do conda list propka to see the version?

shozebhaider commented 3 years ago

Doing exactly that. packages in environment at /home/shozeb/miniconda3/envs/htmd: Name Version Build Channel propka 3.3.0 py37h43977f1_0 conda-forge

stefdoerr commented 3 years ago

Hmmm. Seems like it picked the conda-forge propka over our propka which causes the issue. Can you do conda uninstall propka and conda install propka -c acellera ? I am afraid that either you passed the channels in the wrong order in the installation or you have configured permanent channels in your conda installation.

On Wed, Dec 9, 2020 at 10:19 AM shozebhaider notifications@github.com wrote:

Doing exactly that. packages in environment at /home/shozeb/miniconda3/envs/htmd: Name Version Build Channel

propka 3.3.0 py37h43977f1_0 conda-forge

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shozebhaider commented 3 years ago

I think it was a case of channel being passed in the wrong order. I got it to work. Many thanks Stefan.