# ChangeLog for sci-chemistry/gamess # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 # $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.49 2011/01/23 12:42:58 alexxy Exp $ *gamess-20101001.1-r1 (23 Jan 2011) 23 Jan 2011; Alexey Shvetsov -gamess-20101001.1.ebuild, +gamess-20101001.1-r1.ebuild, +files/gamess-neo-fix.patch: Fix neo build for gamess 29 Dec 2010; Alexey Shvetsov -gamess-20090112.1-r1.ebuild, -files/gamess-20090112.1.gentoo.patch, gamess-20101001.1.ebuild: Fix gamess build. Aslo remove old versions since upstream provides only latest tarball 20 Dec 2010; Justin Lecher gamess-20090112.1-r1.ebuild, gamess-20101001.1.ebuild: Fix for fortran detection, thanks alexxy noting this 16 Dec 2010; Justin Lecher gamess-20090112.1-r1.ebuild, gamess-20101001.1.ebuild: Removal of fortran.eclass, #348851 08 Dec 2010; Alexey Shvetsov gamess-20101001.1.ebuild: Fix neo code 07 Dec 2010; Alexey Shvetsov gamess-20101001.1.ebuild, +files/gamess-qmmm-tinker-fix-idate.patch, metadata.xml: Make neo optional also fix qmmm compilation *gamess-20101001.1 (07 Dec 2010) 07 Dec 2010; Alexey Shvetsov -gamess-20080411.1.ebuild, -files/gamess-20080411.1.gentoo.patch, -gamess-20090112.1.ebuild, -gamess-20090112.3.ebuild, -gamess-20090112.3-r1.ebuild, -gamess-20100325.2.ebuild, -files/gamess-20100325.2.gentoo.patch, +gamess-20101001.1.ebuild, +files/gamess-20101001.1.gentoo.patch: Add new gamess release. Clean up old ones. TODO: Add cuda support and fix broken mpi stuff 12 Aug 2010; Kacper Kowalik gamess-20100325.2.ebuild: Add missing depend on dev-util/pkgconfig wrt bug 332439. Thanks to Malcolm Galland for reporting. 30 May 2010; Alexey Shvetsov gamess-20100325.2.ebuild, +files/gamess-20100325.2.gentoo.patch: make it build with new buildsystem *gamess-20100325.2 (24 May 2010) 24 May 2010; Alexey Shvetsov +gamess-20100325.2.ebuild: Version bump with improved qmmm stuff 30 Nov 2009; Alexey Shvetsov gamess-20090112.3-r1.ebuild: Fix typo *gamess-20090112.3-r1 (30 Nov 2009) 30 Nov 2009; Alexey Shvetsov +gamess-20090112.3-r1.ebuild: Enable mpi build for gamess-us 07 Nov 2009; Mounir Lamouri gamess-20090112.1-r1.ebuild: Stable on ppc, bug 268848 *gamess-20090112.3 (23 Oct 2009) 23 Oct 2009; Markus Dittrich -gamess-20070324.1.ebuild, -files/gamess-20070324.1.gentoo.patch, -gamess-20070324.3.ebuild, -files/gamess-20070324.3.gentoo.patch, -gamess-20070324.6.ebuild, +gamess-20090112.3.ebuild: Version bump and removed old ebuilds. 07 Jul 2009; Diego E. Pettenò gamess-20090112.1-r1.ebuild: Use elog for fetch error. 23 May 2009; Markus Meier gamess-20090112.1-r1.ebuild: amd64 stable, bug #268848 15 May 2009; Christian Faulhammer gamess-20090112.1-r1.ebuild: stable x86, bug 268848 23 Apr 2009; Alexey Shvetsov gamess-20090112.1-r1: Add support of adjusting MM size at build time *gamess-20090112.1-r1 (22 Apr 2009) 22 Apr 2009; Alexey Shvetsov metadata.xml, +gamess-20090112.1-r1.ebuild: Add QM/MM support to GAMESS-US *gamess-20090112.1 (20 Feb 2009) 20 Feb 2009; Alexey Shvetsov +files/gamess-20090112.1.gentoo.patch, metadata.xml, +gamess-20090112.1.ebuild: Version bump (bug #258062). Add myself to metadata.xml 12 Oct 2008; Markus Dittrich files/gamess-20080411.1.gentoo.patch: Made slight change to rungms script to allow parallel runs via environmental variables (see bug #241394). Thanks much to Alexey Shvetsov for the suggestion. 29 Jun 2008; Torsten Veller gamess-20070324.1.ebuild, gamess-20070324.3.ebuild, gamess-20070324.6.ebuild, gamess-20080411.1.ebuild: Add missing die: || "..." -> || die "..." 11 May 2008; Christian Faulhammer gamess-20070324.1.ebuild: revert stable KEYWORDS because the tarball is restricted and old ones won't be available from upstream. Requested by markusle by mail 10 May 2008; Markus Dittrich +gamess-20070324.1.ebuild: Re-added accidentally removed stable version. *gamess-20080411.1 (08 May 2008) 08 May 2008; Markus Dittrich -files/gamess-20060907.4.gentoo.patch, -files/gamess-20070324.1.gentoo.patch, +files/gamess-20080411.1.gentoo.patch, -gamess-20060907.4.ebuild, -gamess-20070324.1.ebuild, +gamess-20080411.1.ebuild: Version bump (fixes bug #220855). *gamess-20070324.6 (18 Mar 2008) 18 Mar 2008; Markus Dittrich +gamess-20070324.6.ebuild: Version bump. *gamess-20070324.3 (27 Oct 2007) 27 Oct 2007; Markus Dittrich +files/gamess-20070324.3.gentoo.patch, +gamess-20070324.3.ebuild: Version bump and keyworded gamess for amd64. An external blas library is now mandatory. 19 Aug 2007; Markus Dittrich gamess-20070324.1.ebuild: Fixed bad RDEPEND. 03 Jul 2007; Christian Faulhammer gamess-20070324.1.ebuild: stable x86, bug 183881 *gamess-20070324.1 (17 Apr 2007) 17 Apr 2007; Markus Dittrich -files/gamess-glibc-2.4-gentoo.patch, -files/comp-lked-20060222.2.patch, -files/rungms-runall-20060222.2.patch, -files/gamess-20060222.5.gentoo.patch, +files/gamess-20070324.1.gentoo.patch, -files/ddi-use-ssh-gentoo.patch, +gamess-20070324.1.ebuild: Version bump and cleaned up unused patches. 07 Jan 2007; Danny van Dyk -gamess-20060222.2.ebuild, -gamess-20060222.5.ebuild: QA: Removed unused versions. *gamess-20060907.4 (14 Dec 2006) 14 Dec 2006; Markus Dittrich +files/gamess-20060907.4.gentoo.patch, +gamess-20060907.4.ebuild: Version bump. This version includes the NEO code. *gamess-20060222.5 (26 Sep 2006) 26 Sep 2006; Markus Dittrich +files/gamess-20060222.5.gentoo.patch, -files/comp-gentoo.patch, -files/compall-gentoo.patch, -files/compddi-gentoo.patch, -files/lked-gentoo.patch, -files/runall-gentoo.1.patch, -files/rungms-gentoo.1.patch, -gamess-05272005.5.ebuild, +gamess-20060222.5.ebuild: Version bump (see bug #149118). Also removed one old ebuild and its accompanying files. 20 Sep 2006; Donnie Berkholz ; metadata.xml: (#148281) Change herd to sci-chemistry from sci. 30 Jun 2006; Markus Dittrich gamess-20060222.2.ebuild: Changed the ebuild to provide the test scripts used to validate the gamess test runs. This fixes bug #138516. 23 Jun 2006; Markus Dittrich gamess-20060222.2.ebuild: Disable linking against external blas when compiling with ifc and print out a warning. 23 May 2006; Markus Dittrich gamess-20060222.2.ebuild: Removed ifc use flag and replaced it with fortran.eclass logic. 14 May 2006; Donnie Berkholz ; gamess-05272005.5.ebuild, gamess-20060222.2.ebuild: Convert leading spaces to tabs. 14 May 2006; Donnie Berkholz ; gamess-20060222.2.ebuild: Keyword ~ppc. Also make sure to strip -malign-double on non-x86 systems. 28 Mar 2006; Markus Dittrich +files/gamess-glibc-2.4-gentoo.patch, gamess-20060222.2.ebuild: Added patch to fix missing CLK_TCK with glibc-2.4. Thanks to Jaroslaw Kalinowski for pointing this out. This fixes bug #127784. *gamess-20060222.2 (22 Mar 2006) 22 Mar 2006; Markus Dittrich +files/comp-lked-20060222.2.patch, +files/rungms-runall-20060222.2.patch, -files/comp-gentoo.1.patch, -files/runall-gentoo.patch, -files/rungms-gentoo.patch, -gamess-05272005.3.ebuild, -gamess-05272005.3-r1.ebuild, -gamess-05272005.3-r2.ebuild, +gamess-20060222.2.ebuild: Version bump and changed the ebuild naming convention to start with the year since otherwise portage can't properly keep track of updates. Also removed obsolete ebuilds/patches. gcc-4.1 currently generates bad binaries even with very conservative compile flags. 08 Feb 2006; Markus Dittrich gamess-05272005.5.ebuild: Made ebuild ready to compile and run properly using gfortran. 23 Jan 2006; Markus Dittrich files/digest-gamess-05272005.5, Manifest: Fixed improper digest. This resolves bug #119994. *gamess-05272005.5 (20 Jan 2006) 20 Jan 2006; Markus Dittrich +gamess-05272005.5.ebuild: Bump to latest revision 27 JUN 2005 (R5). *gamess-05272005.3-r2 (07 Dec 2005) 07 Dec 2005; Markus Dittrich +files/comp-gentoo.1.patch, +gamess-05272005.3-r2.ebuild: This revision has the TDHF code enabled, which should now work properly with the patched g77 (see bug #114367). *gamess-05272005.3-r1 (04 Dec 2005) 04 Dec 2005; Markus Dittrich +files/runall-gentoo.1.patch, +files/rungms-gentoo.1.patch, +gamess-05272005.3-r1.ebuild: This new revision installs the rungms wrapper into /usr/bin to avoid that users have to copy it manually and to play well with WebMO. *gamess-05272005.3 (03 Dec 2005) 03 Dec 2005; Markus Dittrich files/rungms-gentoo.patch, -gamess-05272005.ebuild, +gamess-05272005.3.ebuild: Bumped GAMESS to most recent version and changed ebuild naming to properly reflect the revision number; this fixes bug #114278. Removed old ebuild. 08 Nov 2005; Markus Dittrich ChangeLog: marked gamess-05272005.ebuild as ~x86 *gamess-05272005 (20 Sep 2005) 20 Sep 2005; Olivier Fisette +files/comp-gentoo.patch, +files/compall-gentoo.patch, +files/compddi-gentoo.patch, +files/ddi-use-ssh-gentoo.patch, +files/lked-gentoo.patch, +files/runall-gentoo.patch, +files/rungms-gentoo.patch, +metadata.xml, +gamess-05272005.ebuild: Initial import (fixes bug #105901). Package masked to allow for some testing. Many thanks to Markus Dittrich for his ebuild and patches.