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721 lines
25 KiB
721 lines
25 KiB
# ChangeLog for sci-chemistry/gromacs
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# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2
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# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.159 2015/08/02 21:43:22 alexxy Exp $
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*gromacs-5.0.6 (02 Aug 2015)
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02 Aug 2015; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-5.0.6.ebuild:
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Version bump. This one seems to be last version for 5.0.x series
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*gromacs-5.0.5 (21 Jun 2015)
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21 Jun 2015; Christoph Junghans <ottxor@gentoo.org> +gromacs-5.0.5.ebuild:
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version bump
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08 Mar 2015; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.6.5.ebuild,
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-gromacs-4.6.7.ebuild, metadata.xml:
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remove old
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*gromacs-5.0.4-r1 (06 Mar 2015)
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06 Mar 2015; Justin Lecher <jlec@gentoo.org> +gromacs-5.0.4-r1.ebuild,
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metadata.xml:
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Install missing header
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26 Feb 2015; Markus Meier <maekke@gentoo.org> gromacs-5.0.4.ebuild:
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arm stable, bug #538370
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25 Feb 2015; Agostino Sarubbo <ago@gentoo.org> gromacs-5.0.4.ebuild:
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Stable for x86, wrt bug #538370
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23 Feb 2015; Agostino Sarubbo <ago@gentoo.org> gromacs-5.0.4.ebuild:
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Stable for ppc64, wrt bug #538370
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19 Feb 2015; Agostino Sarubbo <ago@gentoo.org> gromacs-5.0.4.ebuild:
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Stable for amd64, wrt bug #538370
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31 Jan 2015; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.6.6.ebuild,
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-gromacs-5.0.1.ebuild, -gromacs-5.0.2-r1.ebuild, -gromacs-5.0.2.ebuild,
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-gromacs-5.0.ebuild:
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remove old
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31 Jan 2015; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.5.ebuild,
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gromacs-4.6.6.ebuild, gromacs-4.6.7.ebuild, gromacs-5.0.1.ebuild,
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gromacs-5.0.2-r1.ebuild, gromacs-5.0.2.ebuild, gromacs-5.0.4.ebuild,
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gromacs-5.0.ebuild, metadata.xml:
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Switch to CPU_FLAGS_X86 (bug #538268)
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*gromacs-5.0.4 (21 Dec 2014)
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21 Dec 2014; Christoph Junghans <ottxor@gentoo.org> +gromacs-5.0.4.ebuild:
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version bump
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25 Nov 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.5.ebuild,
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gromacs-4.6.6.ebuild, gromacs-4.6.7.ebuild, gromacs-5.0.1.ebuild,
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gromacs-5.0.2-r1.ebuild, gromacs-5.0.2.ebuild, gromacs-5.0.ebuild:
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fixed a typo preventing AVX2 support (bug #530454)
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*gromacs-5.0.2-r1 (21 Oct 2014)
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21 Oct 2014; Christoph Junghans <ottxor@gentoo.org> +gromacs-5.0.2-r1.ebuild:
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fix bash completion (bug #526318)
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*gromacs-5.0.2 (02 Oct 2014)
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02 Oct 2014; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-5.0.2.ebuild:
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Version bump =D
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*gromacs-5.0.1 (06 Sep 2014)
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06 Sep 2014; Christoph Junghans <ottxor@gentoo.org> +gromacs-5.0.1.ebuild:
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version bump
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04 Sep 2014; Christoph Junghans <ottxor@gentoo.org> gromacs-5.0.ebuild:
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added ~x64-macos (tested by me)
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*gromacs-4.6.7 (29 Aug 2014)
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29 Aug 2014; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6.7.ebuild:
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version bump
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07 Jul 2014; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.6.2.ebuild:
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remove old
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*gromacs-4.6.6 (07 Jul 2014)
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07 Jul 2014; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6.6.ebuild:
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version bump
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*gromacs-5.0 (30 Jun 2014)
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30 Jun 2014; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-5.0.ebuild,
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metadata.xml:
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[sci-chemistry/gromacs] GROMACS 5.0 finaly relesed
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26 Mar 2014; Markus Meier <maekke@gentoo.org> gromacs-4.6.5.ebuild:
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arm stable, bug #496632
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02 Mar 2014; Pacho Ramos <pacho@gentoo.org> gromacs-4.6.5.ebuild:
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amd64 stable, bug #496632
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24 Feb 2014; Pawel Hajdan jr <phajdan.jr@gentoo.org> gromacs-4.6.5.ebuild:
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x86 stable wrt bug #496632
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19 Jan 2014; Agostino Sarubbo <ago@gentoo.org> gromacs-4.6.5.ebuild:
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Stable for ppc64, wrt bug #496632
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31 Dec 2013; Christoph Junghans <ottxor@gentoo.org>
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-files/gromacs-4.5.5-cmake-cpp-asm.patch,
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-files/gromacs-4.5.5-enable-see.patch,
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-files/gromacs-4.5.7-cmake-cpp-asm.patch, -gromacs-4.5.5-r1.ebuild,
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-gromacs-4.5.7.ebuild, -gromacs-4.6.3.ebuild, -gromacs-4.6.4.ebuild,
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metadata.xml:
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clean up
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*gromacs-4.6.5 (05 Dec 2013)
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05 Dec 2013; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.6.5.ebuild:
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Version bump =D
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*gromacs-4.6.4 (13 Nov 2013)
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13 Nov 2013; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6.4.ebuild:
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version bump
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02 Sep 2013; Agostino Sarubbo <ago@gentoo.org> gromacs-4.6.2.ebuild:
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Stable for x86, wrt bug #472124
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31 Aug 2013; Agostino Sarubbo <ago@gentoo.org> gromacs-4.6.2.ebuild:
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Stable for arm, wrt bug #472124
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06 Jul 2013; Agostino Sarubbo <ago@gentoo.org> gromacs-4.6.2.ebuild:
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Stable for alpha, wrt bug #472124
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*gromacs-4.6.3 (05 Jul 2013)
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05 Jul 2013; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6.3.ebuild:
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version bump
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04 Jul 2013; Agostino Sarubbo <ago@gentoo.org> gromacs-4.6.2.ebuild:
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Stable for ppc64, wrt bug #472124
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02 Jul 2013; Agostino Sarubbo <ago@gentoo.org> gromacs-4.6.2.ebuild:
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Stable for amd64, wrt bug #472124
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*gromacs-4.6.2 (01 Jun 2013)
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01 Jun 2013; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6.2.ebuild,
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-files/gromacs-4.6.1-openmm.patch, -gromacs-4.6.1.ebuild:
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version bump
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28 May 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.1.ebuild:
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fixed a typo, which prevented cuda build
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05 May 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.7.ebuild:
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clean up fortran
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*gromacs-4.5.7 (03 May 2013)
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03 May 2013; Christoph Junghans <ottxor@gentoo.org>
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+files/gromacs-4.5.7-cmake-cpp-asm.patch, +gromacs-4.5.7.ebuild:
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added recent 4.5.x version (bug #468454)
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09 Mar 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.1.ebuild:
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fix cuda build (bug #460518)
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*gromacs-4.6.1 (06 Mar 2013)
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06 Mar 2013; Christoph Junghans <ottxor@gentoo.org>
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+files/gromacs-4.6.1-openmm.patch, +gromacs-4.6.1.ebuild, -gromacs-4.6.ebuild,
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-gromacs-4.6_beta3-r1.ebuild:
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version bump
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12 Feb 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.ebuild,
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gromacs-4.6_beta3-r1.ebuild, metadata.xml:
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sse41 -> sse4_1 (bug #456886) + ninja has missing keywords
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09 Feb 2013; Pacho Ramos <pacho@gentoo.org> gromacs-4.6.ebuild:
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Use readme.gentoo.eclass for elog message (#456068)
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25 Jan 2013; Christoph Junghans <ottxor@gentoo.org> gromacs-4.6.ebuild:
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added ~arm tested by me
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*gromacs-4.6 (19 Jan 2013)
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19 Jan 2013; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6.ebuild:
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version bump
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29 Dec 2012; Christoph Junghans <ottxor@gentoo.org>
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gromacs-4.6_beta3-r1.ebuild:
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fixed build with mkl-11*
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*gromacs-4.6_beta3-r1 (26 Dec 2012)
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26 Dec 2012; Christoph Junghans <ottxor@gentoo.org>
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+gromacs-4.6_beta3-r1.ebuild, -gromacs-4.6_beta3.ebuild, metadata.xml:
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sync with sci overlay
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*gromacs-4.6_beta3 (22 Dec 2012)
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22 Dec 2012; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6_beta3.ebuild,
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-gromacs-4.6_beta2.ebuild, metadata.xml:
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version bump
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08 Dec 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.5-r1.ebuild,
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gromacs-4.6_beta2.ebuild:
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CMAKE_BUILD_DIR -> BUILD_DIR
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*gromacs-4.6_beta2 (07 Dec 2012)
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07 Dec 2012; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6_beta2.ebuild,
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-gromacs-4.6_beta1.ebuild:
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version bump
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*gromacs-4.6_beta1 (30 Nov 2012)
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30 Nov 2012; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.6_beta1.ebuild,
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metadata.xml:
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version bump
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19 Oct 2012; Justin Lecher <jlec@gentoo.org> gromacs-4.5.5-r1.ebuild:
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Remove virtual/fortran and always call fortran-2_pkg_setup as intend by the
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updated fortran-2.eclass
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14 Oct 2012; Justin Lecher <jlec@gentoo.org> gromacs-4.5.5-r1.ebuild:
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Prepare for fortran2.eclass update
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04 May 2012; Jeff Horelick <jdhore@gentoo.org> gromacs-4.5.5-r1.ebuild:
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dev-util/pkgconfig -> virtual/pkgconfig
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09 Mar 2012; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.5.4-r1.ebuild,
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metadata.xml:
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remove old (fixes bug #392121)
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08 Mar 2012; Brent Baude <ranger@gentoo.org> gromacs-4.5.5-r1.ebuild:
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Marking gromacs-4.5.5-r1 ppc64 for bug 391147
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06 Feb 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.4-r1.ebuild,
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gromacs-4.5.5-r1.ebuild:
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fix bug #402339
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05 Feb 2012; Raúl Porcel <armin76@gentoo.org> gromacs-4.5.4-r1.ebuild,
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gromacs-4.5.5-r1.ebuild:
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Drop alpha/sparc keywords
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06 Jan 2012; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.5.4-r2.ebuild,
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-gromacs-4.5.5.ebuild:
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remove obsolete
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06 Jan 2012; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.5-r1.ebuild:
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keyword ~x86-macos
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26 Dec 2011; Markus Meier <maekke@gentoo.org> gromacs-4.5.5-r1.ebuild:
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x86 stable, bug #391147
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20 Dec 2011; Agostino Sarubbo <ago@gentoo.org> gromacs-4.5.5-r1.ebuild:
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Stable for AMD64, wrt bug #391147
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*gromacs-4.5.5-r1 (19 Dec 2011)
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19 Dec 2011; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.5.5-r1.ebuild,
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+files/gromacs-4.5.5-cmake-cpp-asm.patch,
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+files/gromacs-4.5.5-enable-see.patch:
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bring back sse2 kernels
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14 Dec 2011; Agostino Sarubbo <ago@gentoo.org> gromacs-4.5.5.ebuild:
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Stable for AMD64, wrt bug #391147
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11 Dec 2011; Pawel Hajdan jr <phajdan.jr@gentoo.org> gromacs-4.5.5.ebuild:
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x86 stable wrt bug #391147
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28 Sep 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.5.ebuild:
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cmake variable LIB was renamed to GMXLIB
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*gromacs-4.5.5 (27 Sep 2011)
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27 Sep 2011; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.5.5.ebuild:
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Version bump
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10 Sep 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.4-r1.ebuild,
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gromacs-4.5.4-r2.ebuild:
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Migrate to the bash-completion-r1 eclass
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18 Jul 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.4-r2.ebuild:
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fix for external blas/lapack (bug #373559)
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17 Jul 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.4-r2.ebuild:
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corrected libdir (bug #375473)
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26 Jun 2011; Justin Lecher <jlec@gentoo.org> gromacs-4.5.4-r1.ebuild,
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gromacs-4.5.4-r2.ebuild, metadata.xml:
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migrate from 'git' to 'git-2'
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23 Jun 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.4-r1.ebuild,
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gromacs-4.5.4-r2.ebuild:
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only USE=fkernels needs fortran
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21 Jun 2011; Justin Lecher <jlec@gentoo.org> gromacs-4.5.4-r1.ebuild,
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gromacs-4.5.4-r2.ebuild:
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Add dependency on virtual/fortran
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21 Jun 2011; Justin Lecher <jlec@gentoo.org> gromacs-4.5.4-r1.ebuild,
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gromacs-4.5.4-r2.ebuild:
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Added fortran-2.eclass support
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21 Jun 2011; Justin Lecher <jlec@gentoo.org> gromacs-4.5.4-r1.ebuild:
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Use append-libs
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*gromacs-4.5.4-r2 (08 Jun 2011)
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08 Jun 2011; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.5.4-r2.ebuild:
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build with cmake to decrease build time
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01 May 2011; Kacper Kowalik <xarthisius@gentoo.org> -gromacs-4.5.3-r4.ebuild,
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-gromacs-4.5.4.ebuild, gromacs-4.5.4-r1.ebuild:
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ppc64 stable wrt #357017. Drop old.
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11 Apr 2011; Christoph Mende <angelos@gentoo.org> gromacs-4.5.4-r1.ebuild:
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Stable on amd64 wrt bug #357017
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10 Apr 2011; Raúl Porcel <armin76@gentoo.org> gromacs-4.5.4-r1.ebuild:
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alpha/sparc stable wrt #357017
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10 Apr 2011; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.0.7-r4.ebuild,
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-files/gromacs-4.0.9999-docdir.patch:
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remove 4.0.* (EOM)
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10 Apr 2011; Thomas Kahle <tomka@gentoo.org> gromacs-4.5.4-r1.ebuild:
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x86 stable per bug 357017
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*gromacs-4.5.4-r1 (04 Apr 2011)
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04 Apr 2011; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.5.4-r1.ebuild:
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Fix QA execstack bug #361687
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04 Apr 2011; Christoph Junghans <ottxor@gentoo.org> -gromacs-4.0.7-r5.ebuild,
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-gromacs-4.5.3.ebuild, -gromacs-4.5.3-r3.ebuild:
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Removed old
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04 Apr 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.4.ebuild:
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Removed sse use flag (fixed bug #361933)
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02 Apr 2011; Raúl Porcel <armin76@gentoo.org> gromacs-4.5.3-r4.ebuild:
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alpha/sparc stable wrt #357017
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02 Apr 2011; Kacper Kowalik <xarthisius@gentoo.org> gromacs-4.5.4.ebuild:
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Bump to EAPI=4 for REQUIRED_USE on fkernels and threads wrt #361687. Mark
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ppc64 stable wrt #357017
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02 Apr 2011; Samuli Suominen <ssuominen@gentoo.org> gromacs-4.5.4.ebuild:
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Remove illegal QA_EXECSTACK for source based package.
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02 Apr 2011; Kacper Kowalik <xarthisius@gentoo.org> gromacs-4.5.4.ebuild:
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Revert to ~ppc64
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25 Mar 2011; Kacper Kowalik <xarthisius@gentoo.org> gromacs-4.5.4.ebuild:
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ppc64 stable wrt #357017
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22 Mar 2011; Christoph Junghans <ottxor@gentoo.org> gromacs-4.5.4.ebuild:
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New manual, added back pkg-config to DEPEND
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*gromacs-4.5.4 (21 Mar 2011)
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21 Mar 2011; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.5.4.ebuild:
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Version bump
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17 Mar 2011; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.5.3-r4.ebuild:
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Clean up ebuild a bit
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09 Mar 2011; Thomas Kahle <tomka@gentoo.org> gromacs-4.5.3-r4.ebuild:
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x86 stable per bug 357017
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08 Mar 2011; Markos Chandras <hwoarang@gentoo.org> gromacs-4.5.3-r4.ebuild:
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Stable on amd64 wrt bug #357017
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*gromacs-4.5.3-r4 (05 Mar 2011)
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05 Mar 2011; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.5.3-r4.ebuild:
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Rework using of external blas & lapack. Also fix issues with prefix and mpi
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build
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02 Mar 2011; Justin Lecher <jlec@gentoo.org> gromacs-4.0.7-r4.ebuild,
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gromacs-4.0.7-r5.ebuild, gromacs-4.5.3.ebuild, gromacs-4.5.3-r3.ebuild:
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Correct Slots for gtk 3 introduction to tree
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|
*gromacs-4.5.3-r3 (19 Feb 2011)
|
|
|
|
19 Feb 2011; Christoph Junghans <ottxor@gentoo.org> +gromacs-4.5.3-r3.ebuild:
|
|
Version bump (fixes bug #339837)
|
|
|
|
04 Jan 2011; Jeremy Olexa <darkside@gentoo.org> metadata.xml:
|
|
QA: Remove redundant local use flag description
|
|
|
|
16 Dec 2010; Justin Lecher <jlec@gentoo.org> gromacs-4.0.7-r4.ebuild,
|
|
gromacs-4.0.7-r5.ebuild, gromacs-4.5.3.ebuild:
|
|
Removal of fortran.eclass, #348851
|
|
|
|
*gromacs-4.5.3 (25 Nov 2010)
|
|
*gromacs-4.0.7-r5 (25 Nov 2010)
|
|
|
|
25 Nov 2010; Alexey Shvetsov <alexxy@gentoo.org> -gromacs-4.0.4.ebuild,
|
|
-files/gromacs-4.0.4-configure-gfortran.patch,
|
|
-files/gromacs-4.0.4-sparc-cyclecounter.patch, -gromacs-4.0.5.ebuild,
|
|
gromacs-4.0.7-r4.ebuild, +gromacs-4.0.7-r5.ebuild,
|
|
-files/gromacs-4.0.9999-ccache.patch,
|
|
-files/gromacs-4.0.9999-configure-gfortran.patch, -gromacs-4.5.1.ebuild,
|
|
+gromacs-4.5.3.ebuild:
|
|
Version bump. Clean up old versions. Thanks to Christoph Junghans
|
|
|
|
25 Oct 2010; Samuli Suominen <ssuominen@gentoo.org>
|
|
gromacs-4.0.7-r4.ebuild:
|
|
ppc64 stable wrt #326151
|
|
|
|
12 Oct 2010; Raúl Porcel <armin76@gentoo.org> gromacs-4.0.7-r4.ebuild:
|
|
sparc stable wrt #326151
|
|
|
|
*gromacs-4.5.1 (14 Sep 2010)
|
|
|
|
14 Sep 2010; Alexey Shvetsov <alexxy@gentoo.org> -gromacs-4.0.7-r3.ebuild,
|
|
+gromacs-4.5.1.ebuild:
|
|
Version bump. Now it can use ffambber. And threads. Many thanks to
|
|
Christoph Junghans
|
|
|
|
11 Sep 2010; Tobias Klausmann <klausman@gentoo.org>
|
|
gromacs-4.0.7-r4.ebuild:
|
|
Stable on alpha, bug #326151
|
|
|
|
17 Jul 2010; Kacper Kowalik <xarthisius@gentoo.org>
|
|
gromacs-4.0.7-r3.ebuild, gromacs-4.0.7-r4.ebuild,
|
|
-files/gromacs-4.0.7_upstream2010-06-08.patch.gz:
|
|
Move gromacs-4.0.7_upstream2010-06-08.patch.gz to gentoo mirrors. Fixes
|
|
bug 328659. Thanks to Samuli for the report
|
|
|
|
10 Jul 2010; Christian Faulhammer <fauli@gentoo.org>
|
|
gromacs-4.0.7-r4.ebuild:
|
|
stable x86, bug 326151
|
|
|
|
09 Jul 2010; Pacho Ramos <pacho@gentoo.org> gromacs-4.0.7-r4.ebuild:
|
|
amd64 stable, bug 326151
|
|
|
|
08 Jul 2010; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.0.7-r4.ebuild:
|
|
Fix typo in ebuild for prefix setup
|
|
|
|
*gromacs-4.0.7-r4 (04 Jul 2010)
|
|
|
|
04 Jul 2010; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.0.7-r4.ebuild:
|
|
Fix bug #326331. thanks to Christoph Junghans
|
|
|
|
05 Jul 2010; Alexey Shvetsov <alexxy@gentoo.org> -gromacs-3.3.1-r1.ebuild,
|
|
-gromacs-3.3.3.ebuild:
|
|
Gromacs 3.x moved to sci overlay since its unmaintained and no longer
|
|
supported
|
|
|
|
*gromacs-4.0.7-r3 (27 Jun 2010)
|
|
|
|
27 Jun 2010; Alexey Shvetsov <alexxy@gentoo.org> -gromacs-4.0.7.ebuild,
|
|
-gromacs-4.0.7-r1.ebuild, +gromacs-4.0.7-r3.ebuild,
|
|
-files/gromacs-4.0.7-docdir.patch,
|
|
+files/gromacs-4.0.7_upstream2010-06-08.patch:
|
|
Added patches from upstream stable branch. Added ffamber ports. Also fixed
|
|
bugs #301854 and #284431. Big thank to Christoph Junghans
|
|
|
|
24 Jun 2010; Justin Lecher <jlec@gentoo.org> gromacs-3.3.1-r1.ebuild,
|
|
gromacs-3.3.3.ebuild:
|
|
Blocking sci-mathematics/num-utils, #257566
|
|
|
|
*gromacs-4.0.7-r1 (24 Jan 2010)
|
|
|
|
24 Jan 2010; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.0.7-r1.ebuild,
|
|
+files/gromacs-4.0.9999-ccache.patch,
|
|
+files/gromacs-4.0.9999-configure-gfortran.patch,
|
|
+files/gromacs-4.0.9999-docdir.patch:
|
|
Fix bug #302048. thanks to Christoph Junghans
|
|
|
|
18 Jan 2010; Raúl Porcel <armin76@gentoo.org> gromacs-4.0.5.ebuild:
|
|
alpha stable
|
|
|
|
08 Dec 2009; Alexey Shvetsov <alexxy@gentoo.org>
|
|
+files/gromacs-4.0.7-docdir.patch:
|
|
Add missing patch. thanks to rei4dan
|
|
|
|
*gromacs-4.0.7 (07 Dec 2009)
|
|
|
|
07 Dec 2009; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.0.7.ebuild:
|
|
Version bump
|
|
|
|
31 Oct 2009; Raúl Porcel <armin76@gentoo.org> gromacs-4.0.5.ebuild:
|
|
sparc stable wrt #260995
|
|
|
|
30 Oct 2009; Markus Meier <maekke@gentoo.org> gromacs-4.0.5.ebuild:
|
|
amd64/x86 stable, bug #260995
|
|
|
|
26 Sep 2009; Brent Baude <ranger@gentoo.org> gromacs-4.0.4.ebuild:
|
|
Marking gromacs-4.0.4 ppc64 for bug 260995
|
|
|
|
28 Aug 2009; William Hubbs <williamh@gentoo.org> metadata.xml:
|
|
new global use flag "zsh-completion"
|
|
|
|
15 May 2009; Markus Meier <maekke@gentoo.org> gromacs-4.0.4.ebuild:
|
|
amd64 stable, bug #260995
|
|
|
|
14 May 2009; Alexey Shvetsov <alexxy@gentoo.org> -gromacs-4.0.3.ebuild,
|
|
+gromacs-4.0.5.ebuild:
|
|
Drop old version; Fix keywords for 4.0.5. Sorry =)
|
|
|
|
*gromacs-4.0.5 (14 May 2009)
|
|
|
|
14 May 2009; Alexey Shvetsov <alexxy@gentoo.org> +gromacs-4.0.5.ebuild:
|
|
Bump new version with bugfixes. Bug #269754
|
|
|
|
14 May 2009; Christian Faulhammer <fauli@gentoo.org> gromacs-4.0.4.ebuild:
|
|
stable x86, bug 260995
|
|
|
|
13 May 2009; Tobias Klausmann <klausman@gentoo.org> gromacs-4.0.4.ebuild:
|
|
Stable on alpha, bug #260995
|
|
|
|
10 May 2009; Ferris McCormick <fmccor@gentoo.org> gromacs-4.0.4.ebuild:
|
|
Sparc stable, Bug #260995, which see for discussion.
|
|
|
|
10 May 2009; Alexey Shvetsov <alexxy@gentoo.org> gromacs-4.0.4.ebuild,
|
|
+files/gromacs-4.0.4-sparc-cyclecounter.patch:
|
|
Add upstream fix for sparc bug #260995
|
|
|
|
*gromacs-4.0.4 (20 Apr 2009)
|
|
|
|
20 Apr 2009; Alexey Shvetsov <alexxy@gentoo.org>
|
|
+files/gromacs-4.0.4-configure-gfortran.patch, metadata.xml,
|
|
-gromacs-4.0.ebuild, -gromacs-4.0.2.ebuild, +gromacs-4.0.4.ebuild:
|
|
Add new gromacs 4.0.4
|
|
|
|
08 Mar 2009; Markus Meier <maekke@gentoo.org> gromacs-4.0.3.ebuild:
|
|
amd64/x86 stable, bug #260995
|
|
|
|
22 Jan 2009; Jeff Gardner <je_fro@gentoo.org> +gromacs-4.0.3.ebuild:
|
|
Latest version.
|
|
|
|
*gromacs-4.0.2 (04 Jan 2009)
|
|
|
|
04 Jan 2009; Jeff Gardner <je_fro@gentoo.org> +gromacs-4.0.2.ebuild:
|
|
Latest version, thanks to Alexxy for the prod :)
|
|
|
|
*gromacs-4.0 (12 Oct 2008)
|
|
|
|
12 Oct 2008; Jeff Gardner <je_fro@gentoo.org> +gromacs-4.0.ebuild:
|
|
Latest version, closing bug #241474 thanks to Alexey Shvetsov
|
|
|
|
06 Oct 2008; Jeff Gardner <je_fro@gentoo.org> 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 <je_fro@gentoo.org> +gromacs-3.3.3.ebuild:
|
|
Latest stable version, thanks to Alexey Shvetsov, closing bug #193532
|
|
|
|
06 Aug 2008; Ulrich Mueller <ulm@gentoo.org> metadata.xml:
|
|
Add USE flag description to metadata wrt GLEP 56.
|
|
|
|
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-${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 <george@gentoo.org> all_files :
|
|
|
|
initial release.
|