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sci-chemistry/GromacsWrapper

Python framework for Gromacs

Screenshots

  • GromacsWrapper-0.8.5
    ~amd64 ~x86
    test python_targets_python3_10 python_targets_python3_11

    View      Download      Browse     License: GPL-3 LGPL-3   
    Overlay: gentoo
  • GromacsWrapper-0.8.4
    ~amd64 ~x86
    test python_targets_python3_10 python_targets_python3_11

    View      Download      Browse     License: GPL-3 LGPL-3   
    Overlay: gentoo

ChangeLog

commit bce61aa3e4fe85fe411df858eb30ebe72a3a8f88
Author: Justin Lecher <jlec@gentoo.org>
Date: Sat Nov 18 20:39:44 2017 +0000

Consistently ident with tabs

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 3199ec7737e923dc19479e5de7b31bb583071931
Author: Justin Lecher <jlec@gentoo.org>
Date: Sun Apr 30 11:12:48 2017 +0100

Cleanup remote IDs

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit f69e73182fc7cdc6c600a72fceb88ae1626db25d
Author: Justin Lecher <jlec@gentoo.org>
Date: Sat Feb 25 16:50:59 2017 +0000

Drop leftover from CVS in HEADER

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 057a98c5e6346d6696fcc7b0ec8fefc9e826245f
Author: Justin Lecher <jlec@gentoo.org>
Date: Mon Jan 25 09:53:09 2016 +0100

metadata.xml: Set type

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit b9d823e1ea1018d1356a0c18a083eab4d5ea6d8d
Author: Justin Lecher <jlec@gentoo.org>
Date: Mon Jan 25 09:50:12 2016 +0100

metadata.xml: convert hard -> proj

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 2ef24e800910be3786e23a31a0217ba0f38659f8
Author: Justin Lecher <jlec@gentoo.org>
Date: Thu Jan 7 15:10:39 2016 +0100

Drop ChangeLogs in favour of commit messages

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 6271f0c55cbb6af7fe88ae1ec9d7dbdedd562565
Author: Justin Lecher <jlec@gentoo.org>
Date: Mon Aug 17 08:53:12 2015 +0200

Convert all $Header$ to $Id$ tags as it has be done in gentoo.git

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit a891336052fb27fd9f3f82e33c30f0984f50ea54
Author: Justin Lecher <jlec@gentoo.org>
Date: Sun Jun 21 12:25:27 2015 +0200

Revert "Gentoo does https by default now"

This reverts commit 98718494343af4990facdefb0033471686e975a6.

commit 98718494343af4990facdefb0033471686e975a6
Author: Justin Lecher <jlec@gentoo.org>
Date: Sun Jun 21 12:14:25 2015 +0200

Gentoo does https by default now

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 055d72900ef91dffe2630eb559ae26d7dee76a23
Author: Justin Lecher <jlec@gentoo.org>
Date: Sat Jun 6 12:14:09 2015 +0200

sci-chemistry/GromacsWrapper: Add github to remote-id in metadata.xml

Package-Manager: portage-2.2.20

commit 53c3abab592fb0a0fcd3690917748fe901d9889e
Author: Justin Lecher <jlec@gentoo.org>
Date: Wed Apr 8 11:27:07 2015 +0200

Drop old python implementations

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 3edbf64b13cfcc533632bbdbd5fdd54be40521b4
Author: Justin Lecher <jlec@gentoo.org>
Date: Mon Jan 6 20:15:31 2014 +0100

sci-chemistry/GromacsWrapper: Switch from git-2 to git-r3

Package-Manager: portage-2.2.8

commit 94a47aba8632bc468ef26c88c57fd81b63e5f609
Author: Sébastien Fabbro <bicatali@gentoo.org>
Date: Tue Jun 18 10:11:54 2013 -0700

big fixes of metadata and package sub-herd re-distribution

commit 7039cd6112534f7ba3a4ab0aaa1ecf25d2caa8cb
Author: Justin Lecher <jlec@gentoo.org>
Date: Tue Mar 26 16:34:41 2013 +0100

sci-chemistry/GromacsWrapper: Drop py 2.5 support

Package-Manager: portage-2.2.0_alpha169

commit 49a1c762297704969059a0a0a552de0c39f40077
Author: Justin Lecher <jlec@gentoo.org>
Date: Tue Mar 26 16:32:06 2013 +0100

sci-chemistry/GromacsWrapper: Enhance python r1 eclass usage

Package-Manager: portage-2.2.0_alpha169

commit 4bede2b11f9816b86942fb790bbcccfbc345c530
Author: Justin Lecher <jlec@gentoo.org>
Date: Tue Mar 26 16:18:19 2013 +0100

sci-chemistry/GromacsWrapper: Drop in tree version

Package-Manager: portage-2.2.0_alpha169

commit a4535357b2b7c12010f107b33176bc36c1495547
Author: Alexey Shvetsov <alexxy@gentoo.org>
Date: Sat Mar 23 16:43:22 2013 +0400

Add patch to fix hack

Package-Manager: portage-2.2.0_alpha169

commit 79657931c589cf1030670f45ff481578756fbbf7
Author: Alexey Shvetsov <alexxy@gentoo.org>
Date: Sat Mar 23 15:53:04 2013 +0400

Add Gromacs Python wrapper

Package-Manager: portage-2.2.0_alpha169