Package Details: python-mdtraj 1.9.7-1

Git Clone URL: https://aur.archlinux.org/python-mdtraj.git (read-only, click to copy)
Package Base: python-mdtraj
Description: A modern, open library for the analysis of molecular dynamics trajectories
Upstream URL: http://mdtraj.org/
Licenses: LGPL
Submitter: hseara
Maintainer: hseara (vedranmiletic)
Last Packager: hseara
Votes: 4
Popularity: 0.000043
First Submitted: 2014-10-01 14:14 (UTC)
Last Updated: 2022-01-06 12:01 (UTC)

Dependencies (9)

Required by (1)

Sources (1)

Latest Comments

AlexBocken commented on 2023-12-11 11:48 (UTC) (edited on 2023-12-11 13:07 (UTC) by AlexBocken)

Alright, In general the building seems to be a python 3.11 issue. (gcc8 does not fix it btw) This commit fixes it:

https://github.com/mdtraj/mdtraj/commit/f17266a1bbd5f659549ca03ff0c3dcea7535e362.

This is related to this issue: https://github.com/mdtraj/mdtraj/issues/1813 At least in my git bisect testing I got this commit.

This is more recent than 1.9.9 so patching the PKGBUILD for 1.9.9 (or just using this 4 week younger commit than 1.9.9) would fix all the build issues.

@hseara let me know if you're interested in doing this. Otherwise please consider orphaning the package as a non-building package is of little use.

AlexBocken commented on 2023-12-09 12:40 (UTC)

This package does not build in it's current state, might be because of what @FoPref states. (Currently compiling gcc8, takes a while for me to verify) Please update it or orphan the package.

FoPref commented on 2021-01-20 17:08 (UTC) (edited on 2021-01-20 17:08 (UTC) by FoPref)

The package has a hard build dependency (introduced by the PKGBUILD) on gcc-8 which is missing from makedepends

burning_daylight commented on 2020-02-06 16:52 (UTC)

Installation fails with:

mdtraj/rmsd/src/center.c:22:13: error: ‘n_frames’ not specified in enclosing ‘parallel’ 22 | #pragma omp parallel for default(none) shared(coords, traces)