Package Details: ghemical 3.0.0-4

Git Clone URL: https://aur.archlinux.org/ghemical.git (read-only, click to copy)
Package Base: ghemical
Description: Computational chemistry package
Upstream URL: https://bioinformatics.org/ghemical/ghemical/
Licenses: GPL
Submitter: xyproto
Maintainer: ConnorBehan
Last Packager: ConnorBehan
Votes: 6
Popularity: 0.000000
First Submitted: 2013-05-07 08:25 (UTC)
Last Updated: 2023-06-03 16:07 (UTC)

Latest Comments

micwoj92 commented on 2021-03-23 08:47 (UTC)

Hello, could you update links to https?

Gemini commented on 2020-04-02 22:08 (UTC) (edited on 2020-04-02 22:12 (UTC) by Gemini)

Hello, got a dependency error about openbabel-2.0, while all its dependencies (like liboglappth) required openbabel3.0 and supposedly this one as well (uninstalled openbabel and let makepkg install it)

Probably this "virtual:world" is the culprit? See below: 


checking for GTK... yes
checking for OPENBABEL... no
configure: error: Package requirements (openbabel-2.0) were not met:


Package 'openbabel-2.0', required by 'virtual:world', not found


Consider adjusting the PKG_CONFIG_PATH environment variable if you
installed software in a non-standard prefix.


Alternatively, you may set the environment variables OPENBABEL_CFLAGS
and OPENBABEL_LIBS to avoid the need to call pkg-config.
See the pkg-config man page for more details.
==> ERROR: A failure occurred in build().
    Aborting...

ConnorBehan commented on 2015-11-12 20:42 (UTC)

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 (UTC)

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 (UTC)

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 (UTC)

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 (UTC)

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.