# 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 1.31 2008/10/12 18:55:36 je_fro Exp $ *gromacs-4.0 (12 Oct 2008) 12 Oct 2008; Jeff Gardner +gromacs-4.0.ebuild: Latest version, closing bug #241474 thanks to Alexey Shvetsov 06 Oct 2008; Jeff Gardner ChangeLog, Manifest: Fixing changelog to reflect addition of gromacs-3.3.3.ebuild *gromacs-3.3.3 (06 Oct 2008) 06 Oct 2008; Jeff Gardner +gromacs-3.3.3.ebuild: Latest stable version, thanks to Alexey Shvetsov, closing bug #193532 06 Aug 2008; Ulrich Mueller metadata.xml: Add USE flag description to metadata wrt GLEP 56. 27 Jun 2008; Ulrich Mueller gromacs-3.3.1-r1.ebuild: Change dependency from virtual/motif to x11-libs/openmotif, bug 224749. 23 Jun 2008; Jeff Gardner -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 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 gromacs-3.3.1-r1.ebuild: Modify the ebuild so it compiles on alpha and mark stable wrt #168182 17 Mar 2007; Steve Dibb gromacs-3.3.1-r1.ebuild: amd64 stable, bug 168182 11 Mar 2007; Sven Wegener gromacs-3.3.1-r1.ebuild: Properly indent src_compile, thanks to ferringb. 08 Mar 2007; Jason Wever gromacs-3.3.1-r1.ebuild: Stable on SPARC wrt bug #168182. 07 Mar 2007; Jeff Gardner gromacs-3.3.1-r1.ebuild: Fix up the demo script so the xterms stay open. 24 Feb 2007; Raúl Porcel gromacs-3.3.1-r1.ebuild: x86 stable wrt bug 168182 23 Feb 2007; Markus Rothe gromacs-3.3.1-r1.ebuild: Stable on ppc64; bug #168182 07 Jan 2007; Danny van Dyk -gromacs-3.2.1.ebuild, -gromacs-3.3.ebuild, -gromacs-3.3.1.ebuild: QA: Removed unused versions. 20 Dec 2006; Jeff Gardner gromacs-3.3.1-r1.ebuild: Small fix of DEPEND 20 Dec 2006; Jeff Gardner 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 +gromacs-3.3.1-r1.ebuild: Fixup to address bugs 135146 118421 and 147614. 20 Sep 2006; Donnie Berkholz ; metadata.xml: (#148281) Change herd to sci-chemistry from sci. *gromacs-3.3.1 (08 Aug 2006) 08 Aug 2006; Markus Dittrich +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 ; 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 ; metadata.xml: Update to my new email address. 25 Jun 2006; Donnie Berkholz ; 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 gromacs-3.2.1-r1.ebuild: Stable on ppc64; bug #89969 *gromacs-3.3 (14 Oct 2005) 14 Oct 2005; Donnie Berkholz ; +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; +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; +files/gromacs-ppc64-altivec.patch, +gromacs-3.2.1-r1.ebuild: Added ppc64 support and altivec support 24 Dec 2004; Olivier Fisette +metadata.xml, +gromacs-3.2.1.ebuild: Moved from app-sci/gromacs to sci-chemistry/gromacs. 06 Jun 2004; Danny van Dyk gromacs-3.2.1.ebuild: Marked stable on amd64. 22 Apr 2004; Donnie Berkholz ; -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 ; gromacs-3.1.4-r1.ebuild, gromacs-3.2.1.ebuild: Add app-shells/tcsh to dependencies (#48691). 22 Apr 2004; Danny van Dyk gromacs-3.2.1.ebuild: marked ~amd64 *gromacs-3.2.1 (02 Apr 2004) 02 Apr 2004; Donnie Berkholz ; gromacs-3.2.1.ebuild: Version bump, closes #44377. *gromacs-3.2 (29 Feb 2004) 29 Feb 2004; Donnie Berkholz ; 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 ; 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 ; gromacs-3.1.3.ebuild, gromacs-3.1.4.ebuild: Pulling old versions. 04 Oct 2003; Donnie Berkholz ; 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 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 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-${PV} 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 all_files : initial release.