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sci-chemistry/ghemical

Chemical quantum mechanics and molecular mechanics

Screenshots

  • ghemical-2.95
    ~amd64 ~x86
    threads openbabel seamonkey
    View      Download      License: GPL-2
  • ghemical-2.10
    ~amd64 ~x86
    threads openbabel gamess mopac7 toolbar seamonkey
    View      Download      License: GPL-2
  • ghemical-2.01
    ppc x86
    threads openbabel toolbar
    View      Download      License: GPL-2

ChangeLog

# ChangeLog for sci-chemistry/ghemical
# Copyright 2002-2008 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/ghemical/ChangeLog,v 1.26 2008/08/06 15:35:02 ulm Exp $

06 Aug 2008; Ulrich Mueller <ulm@gentoo.org> metadata.xml:
Add USE flag description to metadata wrt GLEP 56.

*ghemical-2.95 (08 Jul 2008)

08 Jul 2008; Donnie Berkholz <dberkholz@gentoo.org>;
+ghemical-2.95.ebuild:
Bump. Upstream dropped gamess support and the toolbar. (#226915) No more
need for append-ldflags.

22 Jul 2007; Donnie Berkholz <dberkholz@gentoo.org>; ghemical-2.01.ebuild:
Drop virtual/x11 references.

18 Jan 2007; Jeff Gardner <je_fro@gentoo.org> ChangeLog:
Bump to ghemical-2.10

21 Dec 2006; Saleem Abdulrasool <compnerd@gentoo.org> -files/gcc3.4.patch,
-files/gcc3.4-r1.patch, -ghemical-1.00.ebuild, -ghemical-1.01.ebuild,
-ghemical-1.02.ebuild:
gnome-1.x removal

20 Sep 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml:
(#148281) Change herd to sci-chemistry from sci.

09 Jul 2006; Donnie Berkholz <dberkholz@gentoo.org>; ghemical-2.01.ebuild:
x86/ppc stable.

17 Jun 2006; Donnie Berkholz <spyderous@gentoo.org>; metadata.xml,
ghemical-1.00.ebuild, ghemical-1.01.ebuild, ghemical-1.02.ebuild,
ghemical-2.01.ebuild:
(#136391) Move long description into metadata.

14 May 2006; Donnie Berkholz <spyderous@gentoo.org>; ghemical-1.00.ebuild,
ghemical-1.01.ebuild, ghemical-1.02.ebuild, ghemical-2.01.ebuild:
(#133254) New homepage.

13 May 2006; Donnie Berkholz <spyderous@gentoo.org>;
-files/ghemical-1.90-ghemical-server-fix.patch,
-files/1.90-gcc3.4-r1.patch,
-files/ghemical-1.91-ghemical-server-fix.patch,
-files/1.91-gcc3.4-r1.patch, -ghemical-1.90.ebuild, -ghemical-1.91.ebuild:
Pull old development versions.

*ghemical-2.01 (13 May 2006)

13 May 2006; Donnie Berkholz <spyderous@gentoo.org>;
+ghemical-2.01.ebuild:
(#132835) Bump to latest release. Ebuild based on work of Donald E. Curtis.

13 May 2006; Donnie Berkholz <spyderous@gentoo.org>; ghemical-1.02.ebuild:
Update openbabel dep for adding openbabel-2 to the tree.

*ghemical-1.91 (06 Dec 2005)

06 Dec 2005; Donnie Berkholz <spyderous@gentoo.org>;
+files/ghemical-1.91-ghemical-server-fix.patch,
+files/1.91-gcc3.4-r1.patch, +ghemical-1.91.ebuild:
Bump. Remove faulty libf2c dep; Add modular X deps.

02 Dec 2005; Donnie Berkholz <spyderous@gentoo.org>; ghemical-1.90.ebuild:
libghemical moved from sci-chemistry to sci-libs.

09 Jul 2005; David Holm <dholm@gentoo.org> ghemical-1.90.ebuild:
Added to ~ppc.

09 Jul 2005; Donnie Berkholz <spyderous@gentoo.org>; ghemical-1.02.ebuild:
Fix die messages.

*ghemical-1.90 (09 Jul 2005)

09 Jul 2005; Donnie Berkholz <spyderous@gentoo.org>;
+files/ghemical-1.90-ghemical-server-fix.patch,
+files/1.90-gcc3.4-r1.patch, +ghemical-1.90.ebuild:
Development version.

09 Jul 2005; Donnie Berkholz <spyderous@gentoo.org>; ghemical-1.02.ebuild:
We can use virtual/glut here, no need to get tied into media-libs/glut.

*ghemical-1.02 (09 Jul 2005)

09 Jul 2005; Donnie Berkholz <spyderous@gentoo.org>;
+ghemical-1.02.ebuild:
Version bump. Now uses external mopac7 and openbabel instead of including
its own copies. Added USE flags for mpqc and for GTK+ front-end instead of
GLUT front-end.

*ghemical-1.01 (04 Jan 2005)

04 Jan 2005; Patrick Kursawe <phosphan@gentoo.org> +files/gcc3.4-r1.patch,
+ghemical-1.01.ebuild:
Version bump

04 Jan 2005; Patrick Kursawe <phosphan@gentoo.org> +files/gcc3.4.patch,
ghemical-1.00.ebuild:
Gets through gcc 3.4.3 now - solving bug #74976.

24 Dec 2004; Olivier Fisette <ribosome@gentoo.org> +metadata.xml,
+ghemical-1.00.ebuild:
Moved from app-sci/ghemical to sci-chemistry/ghemical.

19 Apr 2004; Patrick Kursawe <phosphan@gentoo.org> ghemical-0.90.ebuild,
ghemical-1.00.ebuild, files/ghemical-0.90-gentoo.patch:
Added IUSE, moved to sed -i

*ghemical-1.00 (13 Feb 2003)

13 Jan 2003; foser <foser@gentoo.org> ghemical-1.00.ebuild :
Corrected deps, removed gtkglext dep.

12 Jan 2003; Matthew Turk <satai@gentoo.org> :
Fix stupid typos.

03 Jan 2003; Matthew Turk <satai@gentoo.org> :
Clean up some more depends.

30 Dec 2002; Matthew Turk <satai@gentoo.org> :
Fixed #10784 by adding gtkglext as DEPEND.

05 Dec 2002; Hannes Mehnert <hannes@gentoo.org> ghemical-1.00.ebuild:
version bump

02 Nov 2002; Hannes Mehnert <hannes@gentoo.org> ghemical-0.90.ebuild:
marked stable for x86

31 Oct 2002; Hannes Mehnert <hannes@gentoo.org> ghemical-0.90.ebuild:
added --enable-mpqc (since mpqc is now in portage)

*ghemical-0.90.ebuild (28 Oct 2002)

28 Oct 2002; Hannes Mehnert <hannes@gentoo.org> ghemical-0.90.ebuild,
ChangeLog: Initial ebuild.