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 <jungh...@votca.org> + +- 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
