Hello community, here is the log from the commit of package gromacs for openSUSE:Factory checked in at 2017-09-17 22:38:04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/gromacs (Old) and /work/SRC/openSUSE:Factory/.gromacs.new (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "gromacs" Sun Sep 17 22:38:04 2017 rev:35 rq:526433 version:2016.4 Changes: -------- --- /work/SRC/openSUSE:Factory/gromacs/gromacs.changes 2017-08-10 14:13:28.492865191 +0200 +++ /work/SRC/openSUSE:Factory/.gromacs.new/gromacs.changes 2017-09-17 22:38:15.937187368 +0200 @@ -1,0 +2,27 @@ +Fri Sep 15 16:20:29 UTC 2017 - [email protected] + +- version bump to 2016.4 details here: + http://manual.gromacs.org/documentation/2016.4/ReleaseNotes/index.html + Highlighs: + - Disabled PME tuning with the group scheme + - Fixed value of Ewald shift + - Fixed orientation restraint reference + - Fixed bugs with setup for orientation restraints + - Worked around missing OpenMP implementation in orientation restraints + - Enable group-scheme SIMD kernels on recent AVX extensions + - Fix FEP state with rerun + - Fixed COM pull force with SD + - Fix PBC bugs in the swap code + - Fixed flat-bottomed position restraints with multiple ranks + - Fixed null pointer print in DD + - Improved the “files not present” error message + - Fixed LJ-PME + switch grompp error + - Fixed unused SIMD PME table kernel + - Fixed bugs in most double-precision Simd4 implementations + - Avoid inf in SIMD double sqrt() + - Fix NVML error messages + - Fixed IMD interface malfunctions + - Fixed initial temperature reporting + - Fix exception in SIMD LJ PME solve + +------------------------------------------------------------------- Old: ---- gromacs-2016.3.tar.gz manual-2016.3.pdf regressiontests-2016.3.tar.gz New: ---- gromacs-2016.4.tar.gz manual-2016.4.pdf regressiontests-2016.4.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ gromacs.spec ++++++ --- /var/tmp/diff_new_pack.mINubO/_old 2017-09-17 22:38:24.264016634 +0200 +++ /var/tmp/diff_new_pack.mINubO/_new 2017-09-17 22:38:24.264016634 +0200 @@ -17,7 +17,7 @@ # Name: gromacs -Version: 2016.3 +Version: 2016.4 Release: 0 Summary: Molecular Dynamics Package License: GPL-2.0+ ++++++ gromacs-2016.3.tar.gz -> gromacs-2016.4.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/gromacs-2016.3.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new/gromacs-2016.4.tar.gz differ: char 5, line 1 ++++++ manual-2016.3.pdf -> manual-2016.4.pdf ++++++ (binary differes) ++++++ regressiontests-2016.3.tar.gz -> regressiontests-2016.4.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/regressiontests-2016.3.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new/regressiontests-2016.4.tar.gz differ: char 18, line 1
