commit gromacs for openSUSE:Factory
Hello community,
here is the log from the commit of package gromacs for openSUSE:Factory checked in at 2017-03-16 09:42:41
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Comparing /work/SRC/openSUSE:Factory/gromacs (Old)
and /work/SRC/openSUSE:Factory/.gromacs.new (New)
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Package is "gromacs"
Thu Mar 16 09:42:41 2017 rev:32 rq:479436 version:2016.3
Changes:
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--- /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 - junghans@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:
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gromacs-2016.1.tar.gz
manual-2016.1.pdf
regressiontests-2016.1.tar.gz
New:
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gromacs-2016.3.tar.gz
manual-2016.3.pdf
regressiontests-2016.3.tar.gz
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Other differences:
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++++++ 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
participants (1)
-
root@hilbertn.suse.de