Irfan Alibay
Irfan Alibay
Discussing things with @mikemhenry today, it would be quite useful if we could get a general sense of run progression for MultistateSampler derived classes without getting all the debug information...
Something which came up with OpenFE earlier this week, which we thought might be worth reporting: We use OpenFF units internally within OpenFE and sometimes we forget to convert to...
As noticed recently, the 32bit windows azure runner has been failing. This appears to stem from a mix of the recent scipy 1.9.2 release which no longer providing win32 wheels,...
This is the meta issue for the 3.0 release of MDAnalysis. The target date will be a year from the ideal release date of v2.3.0 (which we will release early):...
Just from a very cursory look, I can't seem to see pep8speaks entries in most of the latest PRs here. Is it somehow deactivated?
Networkx is solely used by a single analysis module (leaflet.py). It may make sense to make this an optional dependency?
As per other file format specific dependencies, it would make more sense for GSD to not be a base dependency.
I think this has been a long time request by @jbarnoud (apologies if I'm misremembering). Not the biggest dependency, but we could easily make it an optional one given we...
Each build of the docs is ~ 27 M, it's slow but we'll eventually start using increasing amounts of git space as we do more releases. It's not as bad...
Based on recent issues highlighted on denormals behaviour, do we want to just get rid of that flag?