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sci-chemistry/gromacs

The ultimate molecular dynamics simulation package

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  • gromacs-9999
    X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive openmp python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_targets_python3_3 python_targets_python3_4 python_targets_python3_5 python_single_target_python3_3 python_single_target_python3_4 python_single_target_python3_5

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: alexxy (layman)
  • gromacs-9999
    X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: gentoo (layman)
  • gromacs-2016.9999
    X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: gentoo (distro)
  • gromacs-2016.1
    ~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos
    X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: gentoo (distro)
  • gromacs-2016
    ~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos
    X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: gentoo (layman)
  • gromacs-5.1.9999
    X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: gentoo (layman)
  • gromacs-5.1.3
    ~alpha ~amd64 ~arm ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos
    X blas boost cuda +doc -double-precision +fftw lapack mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: gentoo (layman)
  • gromacs-5.0.9999
    X blas boost cuda +doc -double-precision +fftw lapack +make-symlinks mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: gentoo (layman)
  • gromacs-5.0.4
    ~alpha amd64 arm ppc64 ~sparc x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos
    X blas boost cuda +doc -double-precision +fftw lapack +make-symlinks mkl mpi +offensive openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: gentoo (layman)
  • gromacs-4.6.9999
    X blas cuda doc -double-precision +fftw gsl lapack mkl mpi +offensive openmp +single-precision test +threads zsh-completion cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx

    View      Download      Browse     License: LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )   
    Overlay: gentoo (layman)

ChangeLog

# ChangeLog for sci-chemistry/gromacs
# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
# $Header: $

21 Dec 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-5.0.9999.ebuild:
sync with gx86

25 Nov 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-5.0.9999.ebuild, gromacs-9999.ebuild:
fixed a typo preventing AVX2 support (bug #530454)

09 Oct 2014; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
Fix doc install

07 Sep 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-5.0.9999.ebuild:
fix completion install

06 Sep 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-5.0.9999.ebuild:
sync with gx86

04 Sep 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-5.0.9999.ebuild:
sync with gx86

03 Sep 2014; Christoph Junghans <ottxor@gentoo.org> -Manifest,
-gromacs-5.0_rc1.ebuild:
drop old

03 Sep 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-5.0.9999.ebuild:
live update

07 Jul 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-5.0.9999.ebuild:
sync with gx86, fix FEATURES=test

26 Jun 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-5.0.9999.ebuild:
live ebuild update

14 Apr 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-5.0.9999.ebuild,
gromacs-5.0_rc1.ebuild, gromacs-9999.ebuild, metadata.xml:
added make-symlinks use flag, multilib-strict fix

*gromacs-5.0.9999 (08 Apr 2014)
*gromacs-5.0_rc1 (08 Apr 2014)

08 Apr 2014; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-5.0.9999.ebuild,
+gromacs-5.0_rc1.ebuild, -gromacs-5.0_beta1.ebuild, gromacs-9999.ebuild,
metadata.xml:
[sci-chemistry/gromacs] New ebuilds

05 Mar 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-9999.ebuild:
fix multilib-strict

20 Feb 2014; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
Update gromacs 5.0

16 Feb 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
git-r3 too smart, migrate back to git-2

05 Feb 2014; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
Bash completion changes are comming =D

05 Feb 2014; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
Revert back to git-2 since git-r2 gives problems

25 Jan 2014; Justin Lecher <jlec@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-5.0_beta1.ebuild, gromacs-9999.ebuild:
Add missing dep for USE=doc

06 Jan 2014; Justin Lecher <jlec@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-5.0_beta1.ebuild, gromacs-9999.ebuild:
Switch from git-2 to git-r3

06 Jan 2014; Justin Lecher <jlec@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-5.0_beta1.ebuild, gromacs-9999.ebuild:
Switch from git-2 to git-r3

07 Dec 2013; Justin Lecher <jlec@gentoo.org> gromacs-5.0_beta1.ebuild,
metadata.xml:
Fix multilib-strict problems

*gromacs-5.0_beta1 (06 Dec 2013)

06 Dec 2013; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-5.0_beta1.ebuild,
gromacs-9999.ebuild:
Add 5.0-beta1 release

05 Dec 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
Make gromacs 9999 build manual again

05 Dec 2013; Alexey Shvetsov <alexxy@gentoo.org> -Manifest,
-gromacs-4.5.9999.ebuild, metadata.xml:
Drop 4.5

05 Dec 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
Update live ebuild to current state

03 Dec 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
make mdrun target work for gmx live

03 Dec 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
More updates #2 to gmx live

03 Dec 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
More updates to gmx live

03 Dec 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
Slightly update live ebuild for master branch

01 Jun 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
sync with gx86

05 May 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild:
sync with gx86

*gromacs-4.5.9999 (03 May 2013)

03 May 2013; Christoph Junghans <ottxor@gentoo.org>
+files/gromacs-4.5.7-cmake-cpp-asm.patch, +gromacs-4.5.9999.ebuild,
metadata.xml:
added recent 4.5.x version from gx86 (bug #468454)

15 Mar 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.6.9999.ebuild:
nvcc flags dont needed anymore here

15 Mar 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-9999.ebuild:
Fix build with cuda enabled

10 Mar 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
added cuda build fix from gx86

09 Mar 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
fixed deps + doc build on darwin

06 Mar 2013; Christoph Junghans <ottxor@gentoo.org> -Manifest,
-gromacs-4.5.9999.ebuild, gromacs-4.6.9999.ebuild, gromacs-9999.ebuild,
metadata.xml:
sync with gx86 + clean up

12 Feb 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-9999.ebuild, metadata.xml:
sse41 -> sse4_1 (bug #456886) + ninja has missing keywords

30 Jan 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-9999.ebuild:
added subslot, removed gromacs-manual blocker

30 Jan 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
clean up

28 Jan 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
added app-doc/gromacs-manual in here

21 Jan 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
sci-chemistry/gromacs: use cuda.eclass

21 Jan 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
fixed sci-chemistry/gromacs[test]

21 Jan 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.6.9999.ebuild:
[sci-chemistry/gromacs] Drop restrict test for 4.6

21 Jan 2013; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.6.9999.ebuild:
[sci-chemistry/gromacs] Update 4.6 series ebuild

18 Jan 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
yet another update for git

18 Jan 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
live ebuild update

30 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
further clean up

29 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
fixed build with newer mkl

27 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
sci-chemistry/gromacs: clean up

26 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
fixed openmm suffix

26 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
fixed another typo

26 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
fixed typo

26 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
metadata.xml:
Added mkl support

22 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-9999.ebuild, metadata.xml:
sync with gx86

20 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
fortran is gone

08 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-4.6.9999.ebuild, gromacs-9999.ebuild:
CMAKE_BUILD_DIR -> BUILD_DIR

30 Nov 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
sync with gx86

27 Nov 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
metadata.xml:
added openmm support

19 Nov 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
live ebuild update

04 Oct 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-9999.ebuild:
live ebuild update

03 Oct 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
metadata.xml:
hybrid stuff got merged

09 Aug 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
use ninja if available

25 Jul 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-4.6.9999.ebuild, gromacs-9999.ebuild:
added ~x86-macos

19 Jun 2012; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.6.9999.ebuild,
gromacs-9999.ebuild, metadata.xml:
[sci-chemistry/gromacs] Add new acceleration use flags for gromacs

11 Jun 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild,
metadata.xml:
add support for new hybrid kernels

28 Apr 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
[sci-chemistry/gromacs] add more mirrors

19 Apr 2012; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-4.6.9999.ebuild, gromacs-9999.ebuild:
[sci-chemistry/gromacs] Also add http mirror git uri

04 Mar 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-9999.ebuild:
removed obsolete call to env-update

04 Mar 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
reworked fortran and openmp support

12 Feb 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
sci-chemistry/gromacs: clean up

12 Feb 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
fixed threads and mpi

05 Feb 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
handle new vmd detection

05 Feb 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.9999.ebuild:
added openmp support

*gromacs-4.6.9999 (28 Sep 2011)

28 Sep 2011; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6.9999.ebuild:
Added gromacs-4.6 live version

10 Sep 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-9999.ebuild:
Migrate to the bash-completion-r1 eclass

18 Jul 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-9999.ebuild:
sync with tree

25 Jun 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-9999.ebuild:
migrate to git-2

25 Jun 2011; Justin Lecher <jlec@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-9999.ebuild, metadata.xml:
migrate from 'git' to 'git-2'

21 Jun 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-9999.ebuild:
only USE=fkernels needs fortran

21 Jun 2011; Justin Lecher <jlec@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-9999.ebuild:
Added fortran-2.eclass support

19 Jun 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild,
metadata.xml:
autotools is broken

10 Apr 2011; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.0.9999.ebuild:
remove 4.0.* (EOM)

08 Mar 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.9999.ebuild,
gromacs-9999.ebuild:
added fixes from 4.5.3-r4

07 Mar 2011; Justin Lecher <jlec@gentoo.org> gromacs-4.0.9999.ebuild,
gromacs-4.5.9999.ebuild, gromacs-9999.ebuild:
Correct Slots for gtk 3 introduction to tree

19 Feb 2011; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.5.3-r3.ebuild:
InCVS

*gromacs-4.5.3-r3 (17 Feb 2011)

17 Feb 2011; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.5.3-r2.ebuild,
+gromacs-4.5.3-r3.ebuild:
version bump

*gromacs-4.5.3-r2 (14 Feb 2011)

14 Feb 2011; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.5.3-r1.ebuild,
+gromacs-4.5.3-r2.ebuild, gromacs-4.5.9999.ebuild, gromacs-9999.ebuild:
bring back sse/sse2 useflag (bug #339837)

20 Jan 2011; Christoph Junghans <kleiner_otti@gmx.de> gromacs-9999.ebuild:
add back live manual

17 Jan 2011; Christoph Junghans <kleiner_otti@gmx.de> gromacs-9999.ebuild:
QA fixes

16 Dec 2010; Justin Lecher <jlec@gentoo.org> gromacs-4.0.9999.ebuild,
gromacs-4.5.9999.ebuild, gromacs-9999.ebuild:
Removal of fortran.eclass, #348851

25 Nov 2010; Alexey Shvetsov <alexxy@gentoo.org> -gromacs-4.0.7-r5.ebuild,
-files/gromacs-4.0.7_missing_distfiles.patch.gz,
-files/gromacs-4.0.7_upstream2010-09-15.patch.gz, -gromacs-4.5.2.ebuild,
-gromacs-4.5.3.ebuild:
Moved to tree

*gromacs-4.5.3 (23 Nov 2010)

23 Nov 2010; Christoph Junghans <kleiner_otti@gmx.de>
+gromacs-4.5.3.ebuild:
version bump

*gromacs-4.5.2 (30 Oct 2010)

30 Oct 2010; Christoph Junghans <kleiner_otti@gmx.de>
+gromacs-4.5.2.ebuild:
Version bump

25 Oct 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.5.9999.ebuild, gromacs-9999.ebuild, metadata.xml:
added natural vmd support (bug #340651#c8)

21 Oct 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.5.9999.ebuild, metadata.xml:
added vmd use flag

17 Oct 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.7-r5.ebuild, gromacs-4.0.9999.ebuild:
rename manual in distfiles

16 Oct 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.9999.ebuild, gromacs-4.5.9999.ebuild, gromacs-9999.ebuild:
Live ebuild updates

*gromacs-4.0.7-r5 (16 Oct 2010)

16 Oct 2010; Christoph Junghans <kleiner_otti@gmx.de>
+gromacs-4.0.7-r5.ebuild, +files/gromacs-4.0.7_missing_distfiles.patch.gz,
+files/gromacs-4.0.7_upstream2010-09-15.patch.gz:
Version bump

*gromacs-4.5.1 (02 Sep 2010)

02 Sep 2010; Christoph Junghans <kleiner_otti@gmx.de>
-gromacs-4.5_beta3.ebuild, +gromacs-4.5.1.ebuild:
version bump

*gromacs-4.5_beta3 (11 Aug 2010)

11 Aug 2010; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.0.9999.ebuild,
-gromacs-4.5_beta2.ebuild, +gromacs-4.5_beta3.ebuild,
gromacs-4.5.9999.ebuild, gromacs-9999.ebuild:
Add epatch_user

*gromacs-4.5_beta2 (02 Aug 2010)

02 Aug 2010; Christoph Junghans <kleiner_otti@gmx.de>
-gromacs-4.5_beta1.ebuild, +gromacs-4.5_beta2.ebuild,
gromacs-4.5.9999.ebuild, gromacs-9999.ebuild:
Version bump + new manual

*gromacs-4.5.9999 (31 Jul 2010)
*gromacs-4.5_beta1 (31 Jul 2010)

31 Jul 2010; Christoph Junghans <kleiner_otti@gmx.de>
+gromacs-4.5_beta1.ebuild, +gromacs-4.5.9999.ebuild, gromacs-9999.ebuild:
Version bump

24 Jul 2010; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild:
ffamber officialy shipped with gromacs from now on

08 Jul 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.9999.ebuild, gromacs-9999.ebuild:
fix for bug #301854

04 Jul 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.9999.ebuild, -files/gromacs-4.0.9999-ccache.patch,
-files/gromacs-4.0.9999-configure-gfortran.patch, gromacs-9999.ebuild:
make it compile without fortran again

04 Jul 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.9999.ebuild, gromacs-9999.ebuild:
Fixes for Bug #326331

28 Jun 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.9999.ebuild, +files/gromacs-4.0.9999-docdir.patch:
docdir patch is still not in 4.0 branch

*gromacs-4.0.7-r3 (22 Jun 2010)

22 Jun 2010; Christoph Junghans <kleiner_otti@gmx.de>
+gromacs-4.0.7-r3.ebuild, +files/gromacs-4.0.7to2010-06-08.patch.gz:
added patches from stable branch

*gromacs-4.0.7-r2 (26 Feb 2010)

26 Feb 2010; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.0.7-r2.ebuild:
Add ffamber port to gromacs

18 Feb 2010; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild,
-files/gromacs-9999-dirent.patch:
Dropped unneded patches. They all were applied to git master

18 Feb 2010; Alexey Shvetsov <alexxy@gentoo.org> gromacs-9999.ebuild,
-files/gromacs-9999-as-needed.patch,
-files/gromacs-9999-install-mdrun.patch:
Dropped unneded patches. They all were applied to git master

09 Feb 2010; Christoph Junghans <kleiner_otti@gmx.de> gromacs-9999.ebuild,
+files/gromacs-9999-as-needed.patch:
added as-needed fix

06 Feb 2010; Christoph Junghans <kleiner_otti@gmx.de>
-gromacs-4.0.7-r1.ebuild, -files/gromacs-4.0.9999-docdir.patch:
InCvs

06 Feb 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.9999.ebuild, gromacs-9999.ebuild:
docdir patch went upstream

01 Feb 2010; Christoph Junghans <kleiner_otti@gmx.de> gromacs-9999.ebuild,
+files/gromacs-9999-install-mdrun.patch:
update live ebuild

*gromacs-4.0.7-r1 (24 Jan 2010)

24 Jan 2010; Christoph Junghans <kleiner_otti@gmx.de>
-files/gromacs-4.0.4-configure-gfortran.patch, +gromacs-4.0.7-r1.ebuild,
gromacs-4.0.9999.ebuild, +files/gromacs-4.0.9999-ccache.patch,
+files/gromacs-4.0.9999-configure-gfortran.patch, gromacs-9999.ebuild:
Fixes bug #302048

23 Jan 2010; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.9999.ebuild, gromacs-9999.ebuild:
fixed --as-needed confusion

21 Jan 2010; Christoph Junghans <kleiner_otti@gmx.de>
-gromacs-3.3.9999.ebuild, -gromacs-4.0.4.ebuild,
-files/gromacs-4.0.4-sparc-cyclecounter.patch, -gromacs-4.0.5-r1.ebuild,
-files/gromacs-4.0.5-docdir.patch,
-files/gromacs-4.0.5-path-overflow.patch, gromacs-4.0.9999.ebuild,
+files/gromacs-4.0.9999-docdir.patch, gromacs-9999.ebuild:
sync with tree and removed old ebuilds

30 Nov 2009; Christoph Junghans <kleiner_otti@gmx.de>
files/gromacs-4.0.5-docdir.patch:
docdir -> htmldir

30 Nov 2009; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.5-r1.ebuild, +files/gromacs-4.0.5-docdir.patch:
htmldoc was installed in the wrong path

22 Nov 2009; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.5-r1.ebuild:
build mpi and non-mpi libs, enable gsl by default

*gromacs-4.0.5-r1 (14 Nov 2009)

14 Nov 2009; Christoph Junghans <kleiner_otti@gmx.de>
+files/gromacs-4.0.4-sparc-cyclecounter.patch, +gromacs-4.0.5-r1.ebuild,
+files/gromacs-4.0.5-path-overflow.patch:
fixes bug #284431

*gromacs-9999 (21 Jun 2009)
*gromacs-4.0.9999 (21 Jun 2009)
*gromacs-3.3.9999 (21 Jun 2009)

21 Jun 2009; Christoph Junghans <kleiner_otti@gmx.de>
+gromacs-3.3.9999.ebuild, +files/gromacs-4.0.4-configure-gfortran.patch,
+gromacs-4.0.9999.ebuild, +gromacs-9999.ebuild, metadata.xml:
added live ebuilds for old, stable, experimental branch

21 Jun 2009; Christoph Junghans <kleiner_otti@gmx.de>
gromacs-4.0.4.ebuild:
Fixed some repoman errors

22 Feb 2009; Jeff Gardner <je_fro@gentoo.org>
gromacs-4.0.4.ebuild:
Add 'append-ldflags' to facilitate building for users with --as-needed.

*gromacs-4.0.4 (20 Feb 2009)

20 Feb 2009; Alexey Shvetsov <alexxy@gentoo.org> -gromacs-4.0.3-r1.ebuild,
+gromacs-4.0.4.ebuild:
Version bump\!

20 Feb 2009; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.0.3-r1.ebuild:
Fix typo

*gromacs-4.0.3-r1 (20 Feb 2009)

20 Feb 2009; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.0.3-r1.ebuild,
-gromacs-4.0.3.ebuild:
Add support for qm/mm with mopac7 for gromacs

*gromacs-4.0.3 (20 Jan 2009)

20 Jan 2009; Alexey Shvetsov <alexxy@gentoo.org> -gromacs-3.3.3.ebuild,
+gromacs-4.0.3.ebuild:
Version bump