Hello community,
here is the log from the commit of package lammps for openSUSE:Factory checked in at 2019-09-09 23:42:36
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/lammps (Old)
and /work/SRC/openSUSE:Factory/.lammps.new.7948 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "lammps"
Mon Sep 9 23:42:36 2019 rev:13 rq:724135 version:20180807
Changes:
--------
--- /work/SRC/openSUSE:Factory/lammps/lammps.changes 2019-06-19 21:06:11.862390170 +0200
+++ /work/SRC/openSUSE:Factory/.lammps.new.7948/lammps.changes 2019-09-09 23:42:46.645309468 +0200
@@ -1,0 +2,20 @@
+Thu Aug 15 21:43:19 UTC 2019 - Christoph Junghans
+
+- bump versoin to 20190807 (stable)
+ * General changes:
+ * further tweaks, refactoring, and improvements to building LAMMPS with CMake
+ * refactoring of header file handling for improved consistency and removal of cross dependencies
+ * refactoring of include keyword processing to lift some limitations and to enable KIM simulator models (see below)
+ * Updates for packages:
+ * major update of the KIM package to use KIM-API v2.1.x with support for Simulator models and new commands to generate variables for transparent unit conversion in input files
+ * optimizations and corrections to the KOKKOS packages, especially when used with CUDA, update of KOKKOS library included in LAMMPS to version 2.9.0
+ * updates and bugfixes of the USER-COLVARS package bringing it up to version 2019-08-05
+ * new PPPM and Ewald solvers for electric dipoles and nuclear spins
+ * optimizations and improvements to pair style and computes in the SNAP package
+ * updates, bugfixes and portability improvements for USER-PLUMED package (supports plumed 2.5.2)
+ * update to USER-CGDNA package in preparation of supporting an RNA coarse grain force field
+ * new keyword hybrid/pair for compute pressure
+ * new compute gyration/shape to compute eigenvalues and shape parameters from gyration radius tensor
+ * new compute momentum command
+
+-------------------------------------------------------------------
Old:
----
lammps-stable_5Jun2019.tar.gz
lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz
New:
----
lammps-stable_7Aug2019.tar.gz
lammps-testing-d0394a77fa2b4b2d545a73ea092cf6de7616aac8.tar.gz
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ lammps.spec ++++++
--- /var/tmp/diff_new_pack.prMR29/_old 2019-09-09 23:42:52.353310023 +0200
+++ /var/tmp/diff_new_pack.prMR29/_new 2019-09-09 23:42:52.385310026 +0200
@@ -17,18 +17,19 @@
#
Name: lammps
-Version: 20180605
-%define uversion stable_5Jun2019
+Version: 20180807
+%define uversion stable_7Aug2019
Release: 0
Summary: Molecular Dynamics Simulator
License: GPL-2.0 and GPL-3.0+
Group: Productivity/Scientific/Chemistry
Url: http://lammps.sandia.gov
Source0: https://github.com/lammps/lammps/archive/%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
-%define tversion 827be7af84ca100d394ea1cf6d3bc49f6a8eef92
+%define tversion d0394a77fa2b4b2d545a73ea092cf6de7616aac8
Source1: https://github.com/lammps/lammps-testing/archive/%{tversion}.tar.gz#/%{name}-testing-%{tversion}.tar.gz
BuildRequires: fftw3-devel
BuildRequires: gcc-c++
+BuildRequires: gcc-fortran
BuildRequires: libpng-devel
BuildRequires: libjpeg-devel
BuildRequires: openmpi-devel
@@ -37,7 +38,7 @@
BuildRequires: voro++-devel
BuildRequires: zlib-devel
BuildRequires: gsl-devel
-BuildRequires: kim-api-devel
+BuildRequires: kim-api-devel >= 2.1
BuildRequires: cmake
BuildRequires: opencl-headers
BuildRequires: ocl-icd-devel
@@ -148,6 +149,7 @@
%{cmake} \
-C ../cmake/presets/all_on.cmake \
-C ../cmake/presets/nolib.cmake \
+ -DBUILD_TOOLS=ON \
-DBUILD_LIB=ON -DBUILD_MPI=ON -DPKG_PYTHON=ON \
-DPKG_KIM=ON -DENABLE_TESTING=ON -DPKG_VORONOI=ON \
-DPKG_GPU=ON -DGPU_API=OpenCL -DFFT=FFTW3 \
@@ -156,7 +158,7 @@
-DPKG_USER-INTEL=OFF \
%endif
-DLAMMPS_TESTING_SOURCE_DIR=$(echo $PWD/../lammps-testing-*) ../cmake
-make %{?_smp_mflags}
+%make_jobs
%install
%cmake_install
@@ -175,7 +177,7 @@
%{_mandir}/man1/lmp.1.*
%{_bindir}/msi2lmp
%{_mandir}/man1/msi2lmp.1.*
-
+%{_bindir}/binary2txt
%files -n liblammps0
%defattr(-,root,root,-)
++++++ lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz -> lammps-testing-d0394a77fa2b4b2d545a73ea092cf6de7616aac8.tar.gz ++++++
/work/SRC/openSUSE:Factory/lammps/lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz /work/SRC/openSUSE:Factory/.lammps.new.7948/lammps-testing-d0394a77fa2b4b2d545a73ea092cf6de7616aac8.tar.gz differ: char 12, line 1