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 - kkae...@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 <sp...@gromacs.org> - Berk Hess <h...@gromacs.org> - Erik Lindahl <lind...@gromacs.org> - %package devel License: GPLv2+ Summary: Molecular dynamics package @@ -72,13 +63,6 @@ GROMACS then can use assembly loops with SSE instructions. - -Authors: --------- - David van der Spoel <sp...@gromacs.org> - Berk Hess <h...@gromacs.org> - Erik Lindahl <lind...@gromacs.org> - %prep %setup -q @@ -97,6 +81,7 @@ -DCMAKE_SKIP_RPATH=1 \ -DPACKAGE_ARCHITECTURE=uname -m \ -DLIB=%{_lib} \ + -DGMXLIB=%{_lib} \ .. make @@ -109,9 +94,6 @@ %fdupes %{buildroot}/usr/share/gromacs %endif -%clean -rm -rf $RPM_BUILD_ROOT - %post -p /sbin/ldconfig %postun -p /sbin/ldconfig ++++++ gromacs-4.5.4.tar.bz2 -> gromacs-4.5.5.tar.bz2 ++++++ gromacs/gromacs-4.5.4.tar.bz2 /mounts/work_src_done/STABLE/gromacs/gromacs-4.5.5.tar.bz2 differ: char 11, line 1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Remember to have fun... -- To unsubscribe, e-mail: opensuse-commit+unsubscr...@opensuse.org For additional commands, e-mail: opensuse-commit+h...@opensuse.org
