Hello community,
here is the log from the commit of package gromacs for openSUSE:Factory
checked in at Thu Sep 22 10:46:07 CEST 2011.
--------
--- gromacs/gromacs.changes 2011-03-22 09:39:20.000000000 +0100
+++ /mounts/work_src_done/STABLE/gromacs/gromacs.changes 2011-09-21 15:56:44.000000000 +0200
@@ -1,0 +2,20 @@
+Wed Sep 21 13:32:02 UTC 2011 - kkaempf@suse.com
+
+- Clean up spec file
+
+- Update to 4.5.5
+ - Improved pdb2gmx -chainsep option and reintroduced the -merge option.
+ - Fixed mdrun file appending truncating files to 0 bytes when
+ continuation runs stopped before writing new output.
+ - Fixed COM pulling with multiple constraints checking the
+ convergence of one constraint instead of all.
+ - Fixed some dihedrals in sugars in Gromos53a5/6 working on the
+ wrong atoms.
+ - AmberGS force field is now based on Amber94 instead of Amber96.
+ - Moved hydrogens in Charmm27 protein termini to separate charge
+ groups and added ACE and CT3 residue types.
+ - Many small fixes which avoid termination with fatal errors or
+ crashes in mdrun and tools.
+ - Many small updates to the manual pages of programs.
+
+-------------------------------------------------------------------
@@ -15 +34,0 @@
-
calling whatdependson for head-i586
Old:
----
gromacs-4.5.4.tar.bz2
New:
----
gromacs-4.5.5.tar.bz2
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ gromacs.spec ++++++
--- /var/tmp/diff_new_pack.uUYT3m/_old 2011-09-22 10:46:04.000000000 +0200
+++ /var/tmp/diff_new_pack.uUYT3m/_new 2011-09-22 10:46:04.000000000 +0200
@@ -1,7 +1,7 @@
#
-# spec file for package gromacs (Version 4.5.4)
+# spec file for package gromacs
#
-# Copyright (c) 2010 SUSE LINUX Products GmbH, Nuernberg, Germany.
+# Copyright (c) 2011 SUSE LINUX Products GmbH, Nuernberg, Germany.
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -15,7 +15,6 @@
# Please submit bugfixes or comments via http://bugs.opensuse.org/
#
-# norootforbuild
Name: gromacs
@@ -25,13 +24,12 @@
BuildRequires: fdupes
%endif
-Version: 4.5.4
+Version: 4.5.5
Release: 1
Summary: Molecular Dynamics Package
Url: http://www.gromacs.org
License: GPLv2+
Group: Productivity/Scientific/Chemistry
-AutoReqProv: on
Source0: gromacs-%{version}.tar.bz2
BuildRoot: %{_tmppath}/%{name}-%{version}-build
@@ -47,13 +45,6 @@
GROMACS then can use assembly loops with SSE instructions.
-
-Authors:
---------
- David van der Spoel