Irfan Alibay
Irfan Alibay
We've been saying we'd do this for ages but never go around to it. Making Cython required at build time (which is sorta is because of pyproject.toml) would make deployment...
Follow up from #1901 For 3.0 we should remove the tempfactor aliases.
## Is your feature request related to a problem? ## One of the common issues with MDA is that knowing what dependency versions are likely to work for a given...
Fixes # Changes made in this Pull Request: - PR Checklist ------------ - [ ] Tests? - [ ] Docs? - [ ] CHANGELOG updated? - [ ] Issue raised/referenced?...
We currently try to make a distinction between docs.mdanalysis.org as the "API docs" and userguide.mdanalysis.org as the "User Guide". The User Guide has a nice and convenient logo that tells...
Fixes #4492 Work in progress: - Currently checking if we can just pick up the build via the src build directly TODO: - [x] Check package building - [ ]...
_I'll update as I get more information, but here is a very quick overview of the issue:_ Due to the use of non-optional mdakits as dependencies, the MDAnalysis package now...
For some reason some of the tests are every so often timing out. It's been mostly the ubuntu full deps py3.10 gh actions tests, but we've seen it in the...
From nightly wheels cron CI: 2023-11-03T03:16:21.1300895Z /home/runner/work/mdanalysis/mdanalysis/package/MDAnalysis/analysis/nuclinfo.py:302: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a...
The alignment commandline wrappers via Biopython are deprecated and will be removed in a future version. This means that the use of the clustalw wrapper in `align.py` will no longer...