Hello community, here is the log from the commit of package lammps for openSUSE:Factory checked in at 2018-08-31 10:42:22 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/lammps (Old) and /work/SRC/openSUSE:Factory/.lammps.new (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "lammps" Fri Aug 31 10:42:22 2018 rev:10 rq:631123 version:20180822 Changes: -------- --- /work/SRC/openSUSE:Factory/lammps/lammps.changes 2018-03-29 11:59:39.393612639 +0200 +++ /work/SRC/openSUSE:Factory/.lammps.new/lammps.changes 2018-08-31 10:43:38.759145416 +0200 @@ -1,0 +2,15 @@ +Wed Aug 22 18:56:58 UTC 2018 - [email protected] + +- bump version to 20180822 (stable) + * New CMake option for building LAMMPS and all of its packages, as an alternative to traditional make + * Restructured documentation + * DEM polygonal and polyhedron particles + * new compute entropy/atom command + * New SPIN package for modeling the dynamics of magnetic atomic spins + * New fix bond/react command to enable simulation of one or more complex heuristic reactions + * New USER-BOCS package + * Fixes memory leaks caused when using the GPU package and OpenCL + * Various other small updates and bugfixes +- drop 858.patch - merged upstream + +------------------------------------------------------------------- Old: ---- 858.patch lammps-stable_16Mar2018.tar.gz New: ---- lammps-stable_22Aug2018.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ lammps.spec ++++++ --- /var/tmp/diff_new_pack.bKWtvh/_old 2018-08-31 10:43:41.151148257 +0200 +++ /var/tmp/diff_new_pack.bKWtvh/_new 2018-08-31 10:43:41.151148257 +0200 @@ -17,16 +17,14 @@ # Name: lammps -Version: 20180316 -%define uversion stable_16Mar2018 +Version: 20180822 +%define uversion stable_22Aug2018 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 -# PATCH-FIX-UPSTREAM 858.patch, https://github.com/lammps/lammps/pull/858 - fix return value on ppc64 -Patch0: https://github.com/lammps/lammps/pull/858.patch BuildRequires: fftw3-devel BuildRequires: gcc-c++ BuildRequires: gcc-fortran @@ -41,8 +39,10 @@ BuildRequires: cmake BuildRequires: opencl-headers BuildRequires: ocl-icd-devel +Requires: %{name}-data BuildRoot: %{_tmppath}/%{name}-%{version}-build + %description LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. @@ -116,14 +116,34 @@ This subpackage contains LAMMPS's Python module. +%package data +Summary: LAMMPS data +Group: Productivity/Scientific/Chemistry +BuildArch: noarch + +%description data +LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale +Atomic/Molecular Massively Parallel Simulator. + +LAMMPS has potentials for soft materials (biomolecules, polymers) and +solid-state materials (metals, semiconductors) and coarse-grained or +mesoscopic systems. It can be used to model atoms or, more generically, as a +parallel particle simulator at the atomic, meso, or continuum scale. + +LAMMPS runs on single processors or in parallel using message-passing +techniques and a spatial-decomposition of the simulation domain. The code is +designed to be easy to modify or extend with new functionality. + +This subpackage contains LAMMPS's potential files + + %prep %setup -q -n %{name}-%{uversion} -%patch0 -p1 %build source %{_libdir}/mpi/gcc/openmpi/bin/mpivars.sh -%{cmake} -DENABLE_ALL=ON -DENABLE_MPI=ON -DENABLE_PYTHON=ON -DENABLE_TESTING=ON -DENABLE_VORONOI=ON -DENABLE_GPU=ON -DGPU_API=OpenCL -DFFT=FFTW3 -DPYTHON_INSTDIR=%{python_sitearch} ../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} -DLIB_SUFFIX= -DCMAKE_INSTALL_SYSCONFDIR=/etc ../cmake make %{?_smp_mflags} %install @@ -137,7 +157,8 @@ %files %defattr(-,root,root) -%doc LICENSE README +%doc README +%license LICENSE %{_bindir}/lmp %files -n liblammps0 @@ -146,7 +167,7 @@ %files devel %defattr(-,root,root) -%doc LICENSE +%license LICENSE %{_includedir}/%{name} %{_libdir}/liblammps.so %{_libdir}/pkgconfig/liblammps.pc @@ -155,4 +176,10 @@ %defattr(-,root,root,-) %{python_sitearch}/%{name}.py +%files data +%defattr(-,root,root,-) +%license LICENSE +%{_datadir}/%{name} +%config %{_sysconfdir}/profile.d/lammps.* + %changelog
