Package Details: python-mdanalysis 2.0.0-1

Git Clone URL: https://aur.archlinux.org/python-mdanalysis.git (read-only, click to copy)
Package Base: python-mdanalysis
Description: An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
Upstream URL: http://www.mdanalysis.org/
Licenses: GPL
Submitter: hseara
Maintainer: hseara
Last Packager: hseara
Votes: 1
Popularity: 0.000000
First Submitted: 2017-06-11 16:27 (UTC)
Last Updated: 2021-09-07 10:42 (UTC)

Latest Comments

vale commented on 2022-05-28 14:25 (UTC)

python-biopython is also required as of sometime recently; thank you!

vale commented on 2021-02-19 22:57 (UTC)

looks like python-tqdm is also required; thank you for packaging!

hseara commented on 2021-01-20 21:48 (UTC)

Hi guys. The list of hard dependencies of MDAnalysis is growing. Moreover, they do no longer provide the list of compulsory ones. I have created two new packages that are required and added them as such to depends:

  • python-mmtf
  • python-gsd

I am not sure if the optional ones are more than are really required. If you find any, please let me know, and I will make the appropriate changes.

FoPref commented on 2021-01-20 18:39 (UTC)

Basically all the "optional" dependencies here are mandatory to make mdanalysis run. Sadly, python-mmtf is not available and needs to be installed via pip. Also 'gsd' pip package needs to be installed.

E3LDDfrK commented on 2020-02-04 00:24 (UTC) (edited on 2020-02-04 17:33 (UTC) by E3LDDfrK)

edit: And it seems, a python package called "gsd" is also a dependency.

Is python-mmtf really an optional dependency? Trying to import MDAnalysis, I got this error:

Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/usr/lib/python3.8/site-packages/MDAnalysis/__init__.py", line 183, in <module>
    from .lib import log
  File "/usr/lib/python3.8/site-packages/MDAnalysis/lib/__init__.py", line 36, in <module>
    from . import util
  File "/usr/lib/python3.8/site-packages/MDAnalysis/lib/util.py", line 174, in <module>
    import mmtf
ModuleNotFoundError: No module named 'mmtf'