Bug 133244 - Need Ghemical / OpenBabel / LibGhemical ~amd64
Bug#: 133244 Product:  Gentoo Linux Version: unspecified Platform: AMD64
OS/Version: Linux Status: RESOLVED Severity: enhancement Priority: P2
Resolution: FIXED Assigned To: amd64@gentoo.org Reported By: donald-curtis@uiowa.edu
Component: Ebuilds
URL: 
Summary: Need Ghemical / OpenBabel / LibGhemical ~amd64
Keywords:  
Status Whiteboard: 
Opened: 2006-05-13 16:05 0000
Description:   Opened: 2006-05-13 16:05 0000 
Need to get these ebuild keyworded.  See: <a
href="http://bugs.gentoo.org/show_bug.cgi?id=132835">Bug 132835</a>

------- Comment #1 From Jean Bréfort 2006-05-14 05:32:22 0000 ------- 
I tested and they work with ~amd64. Please also keyword mopac7 (#133268)

------- Comment #2 From Steve Dibb 2006-11-24 13:58:16 0000 ------- 
libghemical is done, but I'm not going to do ghemical until the gtk eselect bug
is fixed.

------- Comment #3 From Steve Dibb 2006-11-24 13:59:09 0000 ------- 
libghemical is done, but I'm not going to do ghemical until the gtk eselect bug
is fixed.

------- Comment #4 From Jaroslaw Kalinowski 2006-12-21 09:10:24 0000 ------- 
Hi,
I had a problem with ghemical on amd64 that was described in #158570.
In case of the version 2.01 it is also necessary to patch views.cpp.
Eventually I was able to get a nearly working (MPQC geometry optimization seems
to be broken) ghemical binary by applying a patch borrowed from debian and
following procedure described in
http://bioinformatics.org/pipermail/ghemical-devel/2006-June/000582.html
The patch and an ugly ebuild is provided...

------- Comment #5 From Jaroslaw Kalinowski 2006-12-21 09:10:58 0000 ------- 
Created an attachment (id=104519) [details]
ghemical-2.01-views.patch

------- Comment #6 From Jaroslaw Kalinowski 2006-12-21 09:11:36 0000 ------- 
Created an attachment (id=104520) [details]
ghemical-2.01-r1.diff (ulgy ebuild hack)

------- Comment #7 From Jaroslaw Kalinowski 2006-12-21 09:12:41 0000 ------- 
Created an attachment (id=104521) [details]
ugly_main_hack.cpp

------- Comment #8 From Jaroslaw Kalinowski 2006-12-21 09:14:07 0000 ------- 
(In reply to comment #4)
Please note that I have libghemical with mopac7 support.

------- Comment #9 From Jeffrey Gardner 2007-01-19 03:39:02 0000 ------- 
everything's keyworded, ghemical-2.10 works fine on amd64.