Hello community, here is the log from the commit of package gromacs for openSUSE:Factory checked in at 2018-04-20 17:25:50 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/gromacs (Old) and /work/SRC/openSUSE:Factory/.gromacs.new (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "gromacs" Fri Apr 20 17:25:50 2018 rev:39 rq:593844 version:2018.1 Changes: -------- --- /work/SRC/openSUSE:Factory/gromacs/gromacs.changes 2018-01-21 15:49:20.436875516 +0100 +++ /work/SRC/openSUSE:Factory/.gromacs.new/gromacs.changes 2018-04-20 17:25:56.870202641 +0200 @@ -1,0 +2,22 @@ +Wed Apr 4 16:07:40 UTC 2018 - [email protected] + +- version bump to 2018.1 details here: + http://manual.gromacs.org/documentation/2018.1/release-notes/2018/2018.1.html + Highlights: + - Fixed leap-frog integrator with Nose-Hoover T coupling and Parrinello-Rahman P coupling + - Used SIMD bondeds without perturbed interactions + - Fixed bonds whose displacement was zero + - Fixed centre-of-mass motion removal on part of the system + - Fixed multi-simulations with multiple ranks per simulation + - Improved inter-simulation signalling implementation + - Fixed FEP calculations with SHAKE + - Fixed handling of mdp define statement assigning preprocessor values + - Prevented log file energy average printing dividing by zero + +------------------------------------------------------------------- +Fri Mar 23 08:53:36 UTC 2018 - [email protected] + +- Add _constraints file to avoid build failure and timeout on tests + for slow CPU workers + +------------------------------------------------------------------- Old: ---- gromacs-2018.tar.gz manual-2018.pdf regressiontests-2018.tar.gz New: ---- _constraints gromacs-2018.1.tar.gz manual-2018.1.pdf regressiontests-2018.1.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ gromacs.spec ++++++ --- /var/tmp/diff_new_pack.7uWQ7r/_old 2018-04-20 17:26:05.457891236 +0200 +++ /var/tmp/diff_new_pack.7uWQ7r/_new 2018-04-20 17:26:05.457891236 +0200 @@ -1,7 +1,7 @@ # # spec file for package gromacs # -# Copyright (c) 2017-2018 SUSE LINUX GmbH, Nuernberg, Germany. +# Copyright (c) 2018 SUSE LINUX GmbH, Nuernberg, Germany. # Copyright (c) 2015-2018 Christoph Junghans <[email protected]> # # All modifications and additions to the file contributed by third parties @@ -18,10 +18,10 @@ Name: gromacs -Version: 2018 +Version: 2018.1 Release: 0 Summary: Molecular Dynamics Package -License: GPL-2.0+ +License: GPL-2.0-or-later Group: Productivity/Scientific/Chemistry Url: http://www.gromacs.org Source0: ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}.tar.gz @@ -31,11 +31,11 @@ BuildRequires: cmake >= 2.8.8 BuildRequires: fdupes BuildRequires: gcc-c++ +BuildRequires: ocl-icd-devel +BuildRequires: opencl-headers BuildRequires: openmpi-devel BuildRequires: pkg-config BuildRequires: pkgconfig(fftw3) -BuildRequires: opencl-headers -BuildRequires: ocl-icd-devel BuildRoot: %{_tmppath}/%{name}-%{version}-build %description ++++++ _constraints ++++++ <?xml version="1.0"?> <constraints> <hardware> <physicalmemory> <size unit="M">1500</size> </physicalmemory> <disk> <size unit="G">2</size> </disk> </hardware> <sandbox>kvm</sandbox> <hostlabel exclude="true">SLOW_CPU</hostlabel> </constraints> ++++++ gromacs-2018.tar.gz -> gromacs-2018.1.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/gromacs-2018.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new/gromacs-2018.1.tar.gz differ: char 5, line 1 ++++++ manual-2018.pdf -> manual-2018.1.pdf ++++++ (binary differes) ++++++ regressiontests-2018.tar.gz -> regressiontests-2018.1.tar.gz ++++++ /work/SRC/openSUSE:Factory/gromacs/regressiontests-2018.tar.gz /work/SRC/openSUSE:Factory/.gromacs.new/regressiontests-2018.1.tar.gz differ: char 18, line 1
