Bug 133244 – Need Ghemical / OpenBabel / LibGhemical ~amd64

• Status: RESOLVED FIXED
• Product: Gentoo Linux

[Description Donald E. Curtis 2006-05-13 16:05:49 UTC]

Need to get these ebuild keyworded.  See: <a href="http://bugs.gentoo.org/show_bug.cgi?id=132835">Bug 132835</a>

[Comment 1 Jean Bréfort 2006-05-14 05:32:22 UTC]

I tested and they work with ~amd64. Please also keyword mopac7 (#133268)

[Comment 2 Steve Dibb (RETIRED) 2006-11-24 13:58:16 UTC]

libghemical is done, but I'm not going to do ghemical until the gtk eselect bug is fixed.

[Comment 3 Steve Dibb (RETIRED) 2006-11-24 13:59:09 UTC]

libghemical is done, but I'm not going to do ghemical until the gtk eselect bug is fixed.

[Comment 4 Jaroslaw Kalinowski 2006-12-21 09:10:24 UTC]

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 Jaroslaw Kalinowski 2006-12-21 09:10:58 UTC]

Created attachment 104519 [details, diff]
ghemical-2.01-views.patch

[Comment 6 Jaroslaw Kalinowski 2006-12-21 09:11:36 UTC]

Created attachment 104520 [details, diff]
ghemical-2.01-r1.diff (ulgy ebuild hack)

[Comment 7 Jaroslaw Kalinowski 2006-12-21 09:12:41 UTC]

Created attachment 104521 [details]
ugly_main_hack.cpp

[Comment 8 Jaroslaw Kalinowski 2006-12-21 09:14:07 UTC]

(In reply to comment #4)
Please note that I have libghemical with mopac7 support.

[Comment 9 Jeffrey Gardner (RETIRED) 2007-01-19 03:39:02 UTC]

everything's keyworded, ghemical-2.10 works fine on amd64.