Hello community, here is the log from the commit of package lammps for openSUSE:Factory checked in at 2019-01-05 14:41:54 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/lammps (Old) and /work/SRC/openSUSE:Factory/.lammps.new.28833 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "lammps" Sat Jan 5 14:41:54 2019 rev:11 rq:657604 version:20181212 Changes: -------- --- /work/SRC/openSUSE:Factory/lammps/lammps.changes 2018-08-31 10:43:38.759145416 +0200 +++ /work/SRC/openSUSE:Factory/.lammps.new.28833/lammps.changes 2019-01-05 14:42:05.312493976 +0100 @@ -1,0 +2,27 @@ +Tue Dec 11 21:27:58 UTC 2018 - Christoph Junghans <[email protected]> + +- bump version to 20181212 (stable) + * general: + + major improvements to building LAMMPS with CMake. + + significant consolidation and improved consistency of the manual after the refactoring for the last stable release + + reduced risk of memory/buffer overflows by replacing most uses of sprintf() by snprintf() + * new packages + + USER-PLUMED package with a native interface (no more patching) + + USER-SDPD package for smoothed dissipative particle dynamics (SDPD) + + USER-PTM package for polyhedral template matching analysis to characterize local structure + + new kspace style scafacos, which interfaces to the ScaFaCoS library of long-range coulomb solvers. + * updates for packages: + + USER-COLVARS: updates and bugfixes + + REPLICA: added support for (local and global) hyperdynamics + + KOKKOS: updated Kokkos library, added several KOKKOS versions of styles from the GRANULAR package + + USER-INTEL: updates, bugfixes and improved support for using + + USER-MISC: new styles, compute pressure/cylinder, fix ffl (fast forward langevin), bugfixes and improvements + + Many small bugfixes, corrections for memory leaks and memory management inconsistencies and general improvements. + * Backward compatibility notices: + + the command line flags -restart and -r are no longer available. + + the naming conventions for the group name of groups maintained by fix bond/react have changed. + + pair styles in the USER-SPH package no longer support Pair::single(). + + the meaning of the sign of mu in fix atom/swap has been reversed to be consistent with usual conventions. + + the default installation prefix for CMake based compilation has been changed from /usr/local to $HOME/.local + +------------------------------------------------------------------- Old: ---- lammps-stable_22Aug2018.tar.gz New: ---- lammps-stable_12Dec2018.tar.gz lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ lammps.spec ++++++ --- /var/tmp/diff_new_pack.hK124y/_old 2019-01-05 14:42:08.164491555 +0100 +++ /var/tmp/diff_new_pack.hK124y/_new 2019-01-05 14:42:08.164491555 +0100 @@ -17,17 +17,18 @@ # Name: lammps -Version: 20180822 -%define uversion stable_22Aug2018 +Version: 20181212 +%define uversion stable_12Dec2018 Release: 0 Summary: Molecular Dynamics Simulator License: GPL-2.0 and GPL-3.0+ Group: Productivity/Scientific/Chemistry Url: http://lammps.sandia.gov Source0: https://github.com/lammps/lammps/archive/%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz +%define tversion 7869c75cac38cb8a3d2ef7747ea12ec5812f5151 +Source1: https://github.com/lammps/lammps-testing/archive/%{tversion}.tar.gz#/%{name}-testing-%{tversion}.tar.gz BuildRequires: fftw3-devel BuildRequires: gcc-c++ -BuildRequires: gcc-fortran BuildRequires: libpng-devel BuildRequires: libjpeg-devel BuildRequires: openmpi-devel @@ -138,19 +139,19 @@ %prep -%setup -q -n %{name}-%{uversion} +%setup -a 1 -q -n %{name}-%{uversion} %build source %{_libdir}/mpi/gcc/openmpi/bin/mpivars.sh -%{cmake} -C ../cmake/presets/std_nolib.cmake -DBUILD_LIB=ON -DBUILD_MPI=ON -DPKG_PYTHON=ON -DENABLE_TESTING=ON -DPKG_VORONOI=ON -DPKG_GPU=ON -DGPU_API=OpenCL -DFFT=FFTW3 -DPYTHON_INSTDIR=%{python_sitearch} -DLIB_SUFFIX= -DCMAKE_INSTALL_SYSCONFDIR=/etc ../cmake +%{cmake} -C ../cmake/presets/std_nolib.cmake -DBUILD_LIB=ON -DBUILD_MPI=ON -DPKG_PYTHON=ON -DENABLE_TESTING=ON -DPKG_VORONOI=ON -DPKG_GPU=ON -DGPU_API=OpenCL -DFFT=FFTW3 -DPYTHON_INSTDIR=%{python_sitearch} -DCMAKE_INSTALL_SYSCONFDIR=/etc -DLAMMPS_TESTING_SOURCE_DIR=$(echo $PWD/../lammps-testing-*) ../cmake make %{?_smp_mflags} %install %cmake_install %check -LD_LIBRARY_PATH='%{buildroot}/%{_libdir}:%{_libdir}/mpi/gcc/openmpi/%{_lib}' make -C build %{?_smp_mflags} test ARGS=-V +LD_LIBRARY_PATH='%{buildroot}/%{_libdir}:%{_libdir}/mpi/gcc/openmpi/%{_lib}' make -C build %{?_smp_mflags} test CTEST_OUTPUT_ON_FAILURE=1 %post -n liblammps0 -p /sbin/ldconfig %postun -n liblammps0 -p /sbin/ldconfig @@ -160,6 +161,7 @@ %doc README %license LICENSE %{_bindir}/lmp +%{_mandir}/man1/lmp.1.* %files -n liblammps0 %defattr(-,root,root,-) @@ -171,6 +173,8 @@ %{_includedir}/%{name} %{_libdir}/liblammps.so %{_libdir}/pkgconfig/liblammps.pc +%dir %{_datadir}/cmake/Module +%{_datadir}/cmake/Module/FindLAMMPS.cmake %files -n python-%{name} %defattr(-,root,root,-)
