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Package Details: python-mdanalysis 2.4.3-1
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Git Clone URL: | https://aur.archlinux.org/python-mdanalysis.git (read-only, click to copy) |
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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/ |
Keywords: | analysis chemistry science |
Licenses: | GPL |
Submitter: | hseara |
Maintainer: | hseara (vedranmiletic) |
Last Packager: | vedranmiletic |
Votes: | 1 |
Popularity: | 0.000000 |
First Submitted: | 2017-06-11 16:27 (UTC) |
Last Updated: | 2023-05-27 13:12 (UTC) |
Dependencies (17)
- cython (cython-git, cython0)
- python-biopython
- python-fasteners (python-fasteners-git)
- python-griddataformats
- python-gsd
- python-mmtf
- python-numpy (python-numpy1.22, python-numpy-flame, python-numpy-mkl-bin, python-numpy-git, python-numpy-openblas, python-numpy-mkl)
- python-packaging (python-packaging-21)
- python-scipy (python-scipy-mkl-bin, python-scipy-git, python-scipy-mkl)
- python-tqdm
- python-build (make)
- python-installer (python-installer-git) (make)
- python-wheel (make)
- python-joblib (optional) – to use all MDAnalysis functions
- python-matplotlib (python-matplotlib-git) (optional) – to use all MDAnalysis functions
- python-netcdf4 (python-netcdf4-openmpi) (optional) – to operate on AMBER binary trajectories
- python-networkx (python-networkx-git) (optional) – for analysis of lipid leaflets via MDAnalysis.analysis.leaflet
Latest Comments
vedranmiletic commented on 2023-05-27 13:15 (UTC)
@vale this should be fixed now. Enjoy!
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
: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: