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sci-chemistry/gromacs

The ultimate molecular dynamics simulation package

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  • gromacs-3.3.1-r1
    alpha amd64 ppc64 sparc x86
    3dnow X altivec double-precision mpi sse sse2 debug
    View      Download      License: GPL-2

ChangeLog

# ChangeLog for sci-chemistry/gromacs
# Copyright 2002-2008 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.26 2008/06/27 10:25:34 ulm Exp $

27 Jun 2008; Ulrich Mueller <ulm@gentoo.org> gromacs-3.3.1-r1.ebuild:
Change dependency from virtual/motif to x11-libs/openmotif, bug 224749.

23 Jun 2008; Jeff Gardner <je_fro@gentoo.org>
-files/gromacs-alpha-axp_asm.patch, -files/gromacs-ppc64-altivec.patch,
-gromacs-3.2.1-r1.ebuild, gromacs-3.3.1-r1.ebuild:
Moving disco manpage to g_disco, fixing bug 210083.

03 Jun 2008; Jeff Gardner <je_fro@gentoo.org> gromacs-3.3.1-r1.ebuild:
No altivec patching with this gromacs version. Thanks to Maik Nijhuis in
bug #224773.

13 Jun 2007; Raúl Porcel <armin76@gentoo.org> gromacs-3.3.1-r1.ebuild:
Modify the ebuild so it compiles on alpha and mark stable wrt #168182

17 Mar 2007; Steve Dibb <beandog@gentoo.org> gromacs-3.3.1-r1.ebuild:
amd64 stable, bug 168182

11 Mar 2007; Sven Wegener <swegener@gentoo.org> gromacs-3.3.1-r1.ebuild:
Properly indent src_compile, thanks to ferringb.

08 Mar 2007; Jason Wever <weeve@gentoo.org> gromacs-3.3.1-r1.ebuild:
Stable on SPARC wrt bug #168182.

07 Mar 2007; Jeff Gardner <je_fro@gentoo.org> gromacs-3.3.1-r1.ebuild:
Fix up the demo script so the xterms stay open.

24 Feb 2007; Raúl Porcel <armin76@gentoo.org> gromacs-3.3.1-r1.ebuild:
x86 stable wrt bug 168182

23 Feb 2007; Markus Rothe <corsair@gentoo.org> gromacs-3.3.1-r1.ebuild:
Stable on ppc64; bug #168182

07 Jan 2007; Danny van Dyk <kugelfang@gentoo.org> -gromacs-3.2.1.ebuild,
-gromacs-3.3.ebuild, -gromacs-3.3.1.ebuild:
QA: Removed unused versions.

20 Dec 2006; Jeff Gardner <je_fro@gentoo.org> gromacs-3.3.1-r1.ebuild:
Small fix of DEPEND

20 Dec 2006; Jeff Gardner <je_fro@gentoo.org> ChangeLog:
Many thanks to Rene Meier, Shvetsov Alexey Mathias Weigt, dawe, and Mike
Hlavac for their contributions to gromacs-3.3.1-r1.

*gromacs-3.3.1-r1 (17 Dec 2006)

17 Dec 2006; Jeff Gardner <je_fro@gentoo.org> +gromacs-3.3.1-r1.ebuild:
Fixup to address bugs 135146 118421 and 147614.

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

*gromacs-3.3.1 (08 Aug 2006)

08 Aug 2006; Markus Dittrich <markusle@gentoo.org> +gromacs-3.3.1.ebuild:
Version bump. Ebuild now inherits the fortran.eclass and forces
the use of g77 since gfortran is presently missing some of the
fortran intrinsics needed by gromacs. See bug #141672.

05 Aug 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml:
Remove myself as maintainer, anyone feel free to work on this, although I'll
continue to do so as well.

07 Jul 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml:
Update to my new email address.

25 Jun 2006; Donnie Berkholz <dberkholz@gentoo.org>; gromacs-3.2.1.ebuild,
gromacs-3.2.1-r1.ebuild, gromacs-3.3.ebuild:
(#116346) Change xml2 USE flag to xml.

07 May 2006; Markus Rothe <corsair@gentoo.org> gromacs-3.2.1-r1.ebuild:
Stable on ppc64; bug #89969

*gromacs-3.3 (14 Oct 2005)

14 Oct 2005; Donnie Berkholz <dberkholz@gentoo.org>; +gromacs-3.3.ebuild:
(#109184) Bump. Main change in ebuild is adding a check for fftw built w/
mpi if trying to build w/ mpi. One of the more interesting upstream changes
is the addition of x86-64 and ia64 assembly.

05 Aug 2005; <omkhar@gentoo.org> +files/gromacs-ppc64-altivec.patch,
gromacs-3.2.1-r1.ebuild:
Added patch back as binary due to metatags. Made sure patch only applies when ppc64 && altivec

*gromacs-3.2.1-r1 (04 Aug 2005)

04 Aug 2005; <omkhar@gentoo.org> +files/gromacs-ppc64-altivec.patch,
+gromacs-3.2.1-r1.ebuild:
Added ppc64 support and altivec support

24 Dec 2004; Olivier Fisette <ribosome@gentoo.org> +metadata.xml,
+gromacs-3.2.1.ebuild:
Moved from app-sci/gromacs to sci-chemistry/gromacs.

06 Jun 2004; Danny van Dyk <kugelfang@gentoo.org> gromacs-3.2.1.ebuild:
Marked stable on amd64.

22 Apr 2004; Donnie Berkholz <dberkholz@gentoo.org>;
-files/gromacs-3.2-all-static-fix.patch, -gromacs-3.1.4-r1.ebuild,
-gromacs-3.1.4-r2.ebuild, gromacs-3.2.1.ebuild, -gromacs-3.2.ebuild:
Mark 3.2.1 stable on x86. Remove old versions.

22 Apr 2004; Donnie Berkholz <dberkholz@gentoo.org>;
gromacs-3.1.4-r1.ebuild, gromacs-3.2.1.ebuild:
Add app-shells/tcsh to dependencies (#48691).

22 Apr 2004; Danny van Dyk <kugelfang@gentoo.org> gromacs-3.2.1.ebuild:
marked ~amd64

*gromacs-3.2.1 (02 Apr 2004)

02 Apr 2004; Donnie Berkholz <dberkholz@gentoo.org>; gromacs-3.2.1.ebuild:
Version bump, closes #44377.

*gromacs-3.2 (29 Feb 2004)

29 Feb 2004; Donnie Berkholz <dberkholz@gentoo.org>; gromacs-3.2.ebuild,
files/gromacs-3.2-all-static-fix.patch:
Version bump. New xml2 USE flag.

*gromacs-3.1.4-r2 (28 Feb 2004)

28 Feb 2004; Donnie Berkholz <dberkholz@gentoo.org>;
gromacs-3.1.4-r2.ebuild:
Closing bug #42989 by installing binaries to /usr/bin. Also discovered libs
needed to be installed to /usr/lib. Enabled assembly for Alphas too, if any
Alpha user ever tries this.

04 Oct 2003; Donnie Berkholz <dberkholz@gentoo.org>; gromacs-3.1.3.ebuild,
gromacs-3.1.4.ebuild:
Pulling old versions.

04 Oct 2003; Donnie Berkholz <dberkholz@gentoo.org>;
gromacs-3.1.4-r1.ebuild:
Fixing fftw dep. Won't compile against fftw-3 yet, in part because it looks
for fftw3.h instead of fftw.h, and in part because MPI doesn't work in fftw-3
yet.

*gromacs-3.1.4-r1 (23 Mar 2003)

23 Mar 2003; George Shapovalov <george@gentoo.org> gromacs-3.1.4-r1.ebuild :
added mpi support, lam-mpi is the only working implementation at the moment.
!IMPORTANT!:
Since portage cannot at present check whether optional dependencies of dependencies were turned on,
please check yourself that gromacs and fftw have identical mpi setting.
Generally USE="mpi" emerge gromacs should work fine if you did not install fftw previously (with
different mpi off for example).

*gromacs-3.1.4 (08 Nov 2002)

08 Nov 2002; George Shapovalov <george@gentoo.org> gromacs-3.1.4.ebuild, files/digest-gromacs-3.1.4 :

new version.
!!!IMPORTANT!!!
I changed --prefix to point to /usr for FHS compliance.
Now the binaries and the libs are getting installed into
/usr/i686-pc-linux-gnu/{bin,lib} correspondingly and the data into /usr/share/gromacs-$
This seems to fit well in the existing direcory structure and does not conflict with gcc.

*gromacs-3.1.3 (27 Apr 2002)

27 Apr 2002; George Shapovalov <george@gentoo.org> all_files :

initial release.