path: root/sci-chemistry/gamess/ChangeLog

# ChangeLog for sci-chemistry/gamess
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.59 2013/02/27 16:50:41 jlec Exp $

  27 Feb 2013; Justin Lecher <jlec@gentoo.org> gamess-20110811.1.ebuild,
  files/gamess-20110811.1.gentoo.patch, metadata.xml:
  Use PKG_CONFIG instead of generic pkg-config

  19 Oct 2012; Justin Lecher <jlec@gentoo.org> gamess-20110811.1.ebuild,
  metadata.xml:
  Remove virtual/fortran and always call fortran-2_pkg_setup as intend by the
  updated fortran-2.eclass

  04 May 2012; Jeff Horelick <jdhore@gentoo.org> gamess-20110811.1.ebuild:
  dev-util/pkgconfig -> virtual/pkgconfig

*gamess-20110811.1 (13 Oct 2011)

  13 Oct 2011; Alexey Shvetsov <alexxy@gentoo.org>
  -gamess-20101001.3-r1.ebuild, -files/gamess-20101001.3.gentoo.patch,
  +gamess-20110811.1.ebuild, +files/gamess-20110811.1.gentoo.patch,
  -files/gamess-neo-fix.patch, files/gamess-checktst.patch, metadata.xml:
  Version bump. Fixed bugs #375803 #386839

  08 Oct 2011; Alexey Shvetsov <alexxy@gentoo.org> gamess-20101001.3-r1.ebuild:
  Fix patch name

*gamess-20101001.3-r1 (06 Oct 2011)

  06 Oct 2011; Alexey Shvetsov <alexxy@gentoo.org> -gamess-20101001.3.ebuild,
  +gamess-20101001.3-r1.ebuild, +files/gamess-checktst.patch:
  Fix bug #379973. Thanks to Florian D.

  20 Jul 2011; Pacho Ramos <pacho@gentoo.org> metadata.xml:
  Drop maintainer due retirement, bug #105599

  21 Jun 2011; Justin Lecher <jlec@gentoo.org> gamess-20101001.3.ebuild:
  Add dependency on virtual/fortran

  21 Jun 2011; Justin Lecher <jlec@gentoo.org> gamess-20101001.3.ebuild:
  Added fortran-2.eclass support

*gamess-20101001.3 (17 Jun 2011)

  17 Jun 2011; Alexey Shvetsov <alexxy@gentoo.org>
  -gamess-20101001.1-r1.ebuild, -files/gamess-20101001.1.gentoo.patch,
  +gamess-20101001.3.ebuild, +files/gamess-20101001.3.gentoo.patch:
  Version bump. Thanks to Wilhelm Eger

*gamess-20101001.1-r1 (23 Jan 2011)

  23 Jan 2011; Alexey Shvetsov <alexxy@gentoo.org> -gamess-20101001.1.ebuild,
  +gamess-20101001.1-r1.ebuild, +files/gamess-neo-fix.patch:
  Fix neo build for gamess

  29 Dec 2010; Alexey Shvetsov <alexxy@gentoo.org>
  -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 <jlec@gentoo.org> gamess-20090112.1-r1.ebuild,
  gamess-20101001.1.ebuild:
  Fix for fortran detection, thanks alexxy noting this

  16 Dec 2010; Justin Lecher <jlec@gentoo.org> gamess-20090112.1-r1.ebuild,
  gamess-20101001.1.ebuild:
  Removal of fortran.eclass, #348851

  08 Dec 2010; Alexey Shvetsov <alexxy@gentoo.org> gamess-20101001.1.ebuild:
  Fix neo code

  07 Dec 2010; Alexey Shvetsov <alexxy@gentoo.org> 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 <alexxy@gentoo.org> -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 <xarthisius@gentoo.org>
  gamess-20100325.2.ebuild:
  Add missing depend on dev-util/pkgconfig wrt bug 332439. Thanks to Malcolm
  Galland <MalcolmGalland@letu.edu> for reporting.

  30 May 2010; Alexey Shvetsov <alexxy@gentoo.org> 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 <alexxy@gentoo.org>
  +gamess-20100325.2.ebuild:
  Version bump with improved qmmm stuff

  30 Nov 2009; Alexey Shvetsov <alexxy@gentoo.org>
  gamess-20090112.3-r1.ebuild:
  Fix typo

*gamess-20090112.3-r1 (30 Nov 2009)

  30 Nov 2009; Alexey Shvetsov <alexxy@gentoo.org>
  +gamess-20090112.3-r1.ebuild:
  Enable mpi build for gamess-us

  07 Nov 2009; Mounir Lamouri <volkmar@gentoo.org>
  gamess-20090112.1-r1.ebuild:
  Stable on ppc, bug 268848

*gamess-20090112.3 (23 Oct 2009)

  23 Oct 2009; Markus Dittrich <markusle@gentoo.org>
  -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 <flameeyes@gentoo.org>
  gamess-20090112.1-r1.ebuild:
  Use elog for fetch error.

  23 May 2009; Markus Meier <maekke@gentoo.org> gamess-20090112.1-r1.ebuild:
  amd64 stable, bug #268848

  15 May 2009; Christian Faulhammer <fauli@gentoo.org>
  gamess-20090112.1-r1.ebuild:
  stable x86, bug 268848

  23 Apr 2009; Alexey Shvetsov <alexxy@gentoo.org> 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 <alexxy@gentoo.org> 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 <alexxy@gentoo.org>
  +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 <markusle@gentoo.org>
  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 <alexxyum@gmail.com> for the suggestion.

  29 Jun 2008; Torsten Veller <tove@gentoo.org> 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 <opfer@gentoo.org>
  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 <markusle@gentoo.org>
  +gamess-20070324.1.ebuild:
  Re-added accidentally removed stable version.

*gamess-20080411.1 (08 May 2008)

  08 May 2008; Markus Dittrich <markusle@gentoo.org>
  -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 <markusle@gentoo.org>
  +gamess-20070324.6.ebuild:
  Version bump.

*gamess-20070324.3 (27 Oct 2007)

  27 Oct 2007; Markus Dittrich <markusle@gentoo.org>
  +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 <markusle@gentoo.org>
  gamess-20070324.1.ebuild:
  Fixed bad RDEPEND.

  03 Jul 2007; Christian Faulhammer <opfer@gentoo.org>
  gamess-20070324.1.ebuild:
  stable x86, bug 183881

*gamess-20070324.1 (17 Apr 2007)

  17 Apr 2007; Markus Dittrich <markusle@gentoo.org>
  -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 <kugelfang@gentoo.org>
  -gamess-20060222.2.ebuild, -gamess-20060222.5.ebuild:
  QA: Removed unused versions.

*gamess-20060907.4 (14 Dec 2006)

  14 Dec 2006; Markus Dittrich <markusle@gentoo.org>
  +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 <markusle@gentoo.org>
  +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 <dberkholz@gentoo.org>; metadata.xml:
  (#148281) Change herd to sci-chemistry from sci.

  30 Jun 2006; Markus Dittrich <markusle@gentoo.org>
  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 <markusle@gentoo.org>
  gamess-20060222.2.ebuild:
  Disable linking against external blas when compiling with ifc and
  print out a warning.

  23 May 2006; Markus Dittrich <markusle@gentoo.org>
  gamess-20060222.2.ebuild:
  Removed ifc use flag and replaced it with fortran.eclass logic.

  14 May 2006; Donnie Berkholz <spyderous@gentoo.org>;
  gamess-05272005.5.ebuild, gamess-20060222.2.ebuild:
  Convert leading spaces to tabs.

  14 May 2006; Donnie Berkholz <spyderous@gentoo.org>;
  gamess-20060222.2.ebuild:
  Keyword ~ppc. Also make sure to strip -malign-double on non-x86 systems.

  28 Mar 2006; Markus Dittrich <markusle@gentoo.org>
  +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 <jak137@o2.pl> for pointing this out. This 
  fixes bug #127784.

*gamess-20060222.2 (22 Mar 2006)

  22 Mar 2006; Markus Dittrich <markusle@gentoo.org>
  +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 <markusle@gentoo.org>
  gamess-05272005.5.ebuild:
  Made ebuild ready to compile and run properly using gfortran.

  23 Jan 2006; Markus Dittrich <markusle@gentoo.org>
  files/digest-gamess-05272005.5, Manifest:
  Fixed improper digest. This resolves bug #119994.

*gamess-05272005.5 (20 Jan 2006)

  20 Jan 2006; Markus Dittrich <markusle@gentoo.org>
  +gamess-05272005.5.ebuild:
  Bump to latest revision 27 JUN 2005 (R5).

*gamess-05272005.3-r2 (07 Dec 2005)

  07 Dec 2005; Markus Dittrich <markusle@gentoo.org>
  +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 <markusle@gentoo.org>
  +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 <markusle@gentoo.org>
  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 <markusle@gentoo.org> ChangeLog:
  marked gamess-05272005.ebuild as ~x86

*gamess-05272005 (20 Sep 2005)

  20 Sep 2005; Olivier Fisette <ribosome@gentoo.org>
  +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 <markusle@gmail.com> for his ebuild
  and patches.