Hello community, here is the log from the commit of package gromacs for openSUSE:Factory checked in at 2017-03-16 09:42:41 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/gromacs (Old) and /work/SRC/openSUSE:Factory/.gromacs.new (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "gromacs" Thu Mar 16 09:42:41 2017 rev:32 rq:479436 version:2016.3 Changes: -------- --- /work/SRC/openSUSE:Factory/gromacs/gromacs.changes 2016-11-10 13:19:00.000000000 +0100 +++ /work/SRC/openSUSE:Factory/.gromacs.new/gromacs.changes 2017-03-16 09:51:37.365046526 +0100 @@ -1,0 +2,31 @@ +Tue Mar 14 15:11:23 UTC 2017 - jungh...@votca.org + +- version bump to 2016.3 details here: + http://manual.gromacs.org/documentation/2016.1/ReleaseNotes/index.html +- Highlights: + - Made distance restraints work with threads and DD + - Fixed Ewald surface+3DC corrections + - Fixed opening of wall table files + - Fixed bug in gmx insert-molecules. + - Made virial reproducible + - Updated to support FFTW 3.3.5 + - Permitted automatic load balancing to disable itself when it makes the run slower + - Improved the accuracy of timing for dynamic load balancing with GPUs + - Corrected kernel launch bounds for Tesla P100 GPUs + - Improved logic handling if/when the run is terminated for SETTLE warnings + - Fixed bug in gmx wham for reading pullx files. + - Fixed ouput bug in gmx wham + - Fixed deadlock with thread-MPI + - Made error reporting in grompp more user friendly + - Fixed SIMD suggestion for VMX + - Fixed script xplor2gmx.pl to work with GMXDATA + - Fixed default nice level in mdrun-only build + - Fixed math-test false positive + - Improved documentation + - OpenCL error string are now written, instead of cryptic error codes + - Fixed build with GMX_USE_TNG=off + - Removed variable-precision .gro writing + - Fixed BG/Q platform files and install guide + - Reduced the memory required for free-energy simulations + +------------------------------------------------------------------- Old: ---- gromacs-2016.1.tar.gz manual-2016.1.pdf regressiontests-2016.1.tar.gz New: ---- gromacs-2016.3.tar.gz manual-2016.3.pdf regressiontests-2016.3.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ gromacs.spec ++++++ --- /var/tmp/diff_new_pack.od2Vam/_old 2017-03-16 09:51:40.632583783 +0100 +++ /var/tmp/diff_new_pack.od2Vam/_new 2017-03-16 09:51:40.632583783 +0100 @@ -1,7 +1,7 @@ # # spec file for package gromacs # -# Copyright (c) 2015,2016 Christoph Junghans <jungh...@votca.org> +# Copyright (c) 2015-2017 Christoph Junghans <jungh...@votca.org> # Copyright (c) 2013,2014 SUSE LINUX Products GmbH, Nuernberg, Germany. # # All modifications and additions to the file contributed by third parties @@ -17,7 +17,7 @@ # Name: gromacs -Version: 2016.1 +Version: 2016.3 Release: 0 Summary: Molecular Dynamics Package License: GPL-2.0+ ++++++ gromacs-2016.1.tar.gz -> gromacs-2016.3.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/gromacs-2016.1.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new/gromacs-2016.3.tar.gz differ: char 5, line 1 ++++++ manual-2016.1.pdf -> manual-2016.3.pdf ++++++ (binary differes) ++++++ regressiontests-2016.1.tar.gz -> regressiontests-2016.3.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/regressiontests-2016.1.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new/regressiontests-2016.3.tar.gz differ: char 12, line 1
