Hello community, here is the log from the commit of package gromacs for openSUSE:Factory checked in at 2019-11-15 22:40:01 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/gromacs (Old) and /work/SRC/openSUSE:Factory/.gromacs.new.26869 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "gromacs" Fri Nov 15 22:40:01 2019 rev:43 rq:748954 version:2019.4 Changes: -------- --- /work/SRC/openSUSE:Factory/gromacs/gromacs.changes 2019-06-19 20:57:08.973917513 +0200 +++ /work/SRC/openSUSE:Factory/.gromacs.new.26869/gromacs.changes 2019-11-15 22:40:28.736472729 +0100 @@ -1,0 +2,20 @@ +Fri Nov 15 14:57:22 UTC 2019 - Christoph Junghans <[email protected]> + +- version bump to 2019.4 details here: + http://manual.gromacs.org/documentation/2019.4/release-notes/2019/2019.4.html + Hightlights: + - Fix incorrect pressure when atoms in CMAP cross a box boundary + - Fix incorrect LJ cut-off on GPU when rvdw < rcoulomb + - Fix (unlikely) missing bonded forces with CUDA GPUs and domain decomposition + - Fix incorrect reporting of final kinetic energy and temperature + - Fix segmentation fault in grompp and mdrun with cosine COM pulling + - Fix grompp not adding angle constraints between constraints + - Fix gmx wham with angle and dihedral geometries + - Fix bug in gmx xpm2ps + - Fix bug in gmx anaeig + - Fix issue with demux.pl script + - Fixed writing of gro files with index groups + - Made gmx make_ndx keep chain IDs + - Fixes that affect portability + +------------------------------------------------------------------- Old: ---- gromacs-2019.2.tar.gz manual-2019.2.pdf regressiontests-2019.2.tar.gz New: ---- gromacs-2019.4.tar.gz manual-2019.4.pdf regressiontests-2019.4.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ gromacs.spec ++++++ --- /var/tmp/diff_new_pack.ewNVgA/_old 2019-11-15 22:40:32.984470738 +0100 +++ /var/tmp/diff_new_pack.ewNVgA/_new 2019-11-15 22:40:32.988470736 +0100 @@ -16,20 +16,25 @@ # Please submit bugfixes or comments via https://bugs.opensuse.org/ # - # Build with OpenMPI +%if 0%{?sle_version} == 0 +%define mpiver openmpi2 +Obsoletes: gromacs-openmpi < %{version} +%else %if 0%{?sle_version} <= 120300 %define mpiver openmpi %else +Obsoletes: gromacs-openmpi < %{version} %if 0%{?sle_version} <= 150000 %define mpiver openmpi2 %else %define mpiver openmpi3 %endif %endif +%endif Name: gromacs -Version: 2019.2 +Version: 2019.4 Release: 0 %define uversion %{version} %define sover 4 ++++++ gromacs-2019.2.tar.gz -> gromacs-2019.4.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/gromacs-2019.2.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new.26869/gromacs-2019.4.tar.gz differ: char 5, line 1 ++++++ manual-2019.2.pdf -> manual-2019.4.pdf ++++++ (binary differes) ++++++ regressiontests-2019.2.tar.gz -> regressiontests-2019.4.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/regressiontests-2019.2.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new.26869/regressiontests-2019.4.tar.gz differ: char 28, line 1
