Rocco Meli
Rocco Meli
By upgrading `molgrid` with `python -m pip install -U molgrid` the problem seems to persist. I'll try to re-build the whole `conda` environment. I tried to run the same script...
Yes, probably a similar problem to #62.
This problem seems to occur only with the `pip`-installed library. If I compile `libmolgrid` from source (within a Singularity container), everything seems to work as expected.
Thank you for looking into this. I think having a warning after spotting this incompatibility would be great! I installed `openbabel` within the `conda` environment from the `conda-forge` channel. The...
Given that (1) is less than ideal, I'd say (2) is the preferred option. If you have any pointers I could have a look into it? I started looking at...
@acruzpr @orbeckst is this PR still relevant?
Tanks @IAlibay, I've noticed this too and wasn't able to reproduce it either. But I didn't have much time to look at this. Hopefully I will have some soon.
I think this issue has been fixed by https://github.com/MDAnalysis/UserGuide/pull/366.
> you'll have to wait until relicense Yep, this was my assumption. It would be annoying to have to re-license here too.
I agree with @mikemhenry. I've had a very smooth experience with Miniforge, from my laptop to HPC clusters. I think it would be best to suggest to use Miniforge directly.