Package Details: ghemical 3.0.0-3

Git Clone URL: https://aur.archlinux.org/ghemical.git (read-only)
Package Base: ghemical
Description: Computational chemistry package
Upstream URL: http://bioinformatics.org/ghemical/ghemical/
Licenses: GPL
Submitter: xyproto
Maintainer: ConnorBehan
Last Packager: ConnorBehan
Votes: 6
Popularity: 0.031402
First Submitted: 2013-05-07 08:25
Last Updated: 2015-06-08 20:19

Latest Comments

ConnorBehan commented on 2015-11-12 20:42

I hope you can figure this out. I can't say I was ever a heavy user of ghemical.

radsci commented on 2015-11-05 17:31

Preceding was on a vbox vm. Trying the same on a different host at least permitted editing molecules and mm based calculations. I suspect that host opengl driver compatibility level might be the issue.

The host that didn't run this properly had (iirc) opengl 2.1, the ones that did had opengl >= 3.1. Note that I tried several recent distros before arch, many of which didn't run compiled executables due to missing pango fonts.

There still seem to be problems: mopac calculations give structures that look like zmat displayed as xyz; and it doesn't open files properly...I'll be testing this more and checking openbabel.

radsci commented on 2015-11-04 00:32

After building & installing libghemical-3.0.0, only after removing libghemical>=3.0 (otherwise not found error, though it's in /usr/lib, etc.) from the list of dependencies in PKGBUILD, this builds on 20151101x86_64, the gui opens properly, but when you start to create a molecule by placing an atom, it coredumps emitting this:

Current element is now O.
DEBUG : draw state is 1
DEBUG : orbit_xy skipped ; counter = 1
Illegal instruction (core dumped)

xyproto commented on 2013-05-07 08:31

There seems to be releases from about two years ago, even though the webpage says otherwise: http://bioinformatics.org/ghemical/download/release20111012/

xyproto commented on 2013-05-07 08:26

Moved from [community] after asking xyne first. ghemical has not seen a release since 2006 and no development in the CVS repo for the last 7-10 years.