Hello community, here is the log from the commit of package lammps for openSUSE:Factory checked in at 2019-06-19 21:05:00 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/lammps (Old) and /work/SRC/openSUSE:Factory/.lammps.new.4811 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "lammps" Wed Jun 19 21:05:00 2019 rev:12 rq:708182 version:20180605 Changes: -------- --- /work/SRC/openSUSE:Factory/lammps/lammps.changes 2019-01-05 14:42:05.312493976 +0100 +++ /work/SRC/openSUSE:Factory/.lammps.new.4811/lammps.changes 2019-06-19 21:06:11.862390170 +0200 @@ -1,0 +2,29 @@ +Thu Jun 6 01:58:04 UTC 2019 - Christoph Junghans <[email protected]> + +- bump version to 20190605 (stable) + * General changes: + + further tweaks and improvements to building LAMMPS with CMake. + + improved error messages + + refactoring of Install.py scripts in the lib folders to use the argparse module + + better checking for style compatibility with suffixed styles + * New packages: + + USER-YAFF providing styles for force fields using QuickFF used for simulation of MOFs + + USER-ADIOS package to provide Exascale compatible I/O support for dump files through the ADIOS v2.x library + * Updates for packages: + + consolidation of "soft" pair styles in USER-FEP package and addition of CLASS2 pair style variants. + + KOKKOS package bugfixes and enhancements (Stan Moore, SNL) + + new generalized pair style granular (Dan S. Bolintineanu, Ishan Srivastava, Jeremy B. Lechman, SNL) + + new pair style drip for dihedral-angle-corrected registry-dependent interlayer potential (DRIP) + + new pair style e3b for adding option to model the E3B water potential (Steven E. Strong, U Chicago) + + new fix style electron/stopping for modeling energy loss through interactions high speed atoms with electrons + + update to USER-COLVARS package to version 2019-04-26 + + update of the KIM package to use KIM-API v2.0 (Ryan Elliot, UMN) + + update to USER-INTEL package to enable use of the package with -DLAMMPS_BIGBIG + + update to USER-PTM package. examples added, license info updated, documentation updates (Peter Larsen, MIT) + + updates and additions to the SPIN package (Julien Tranchida, SNL) + + updates to hyper-dynamics support (Steve Plimpton, SNL) + + updates, improvements, and bugfixes to fix bond/react (Jake Gissinger, U Colorado) + + bugfix/refactoring of REBO pair style to correctly implement what is advertised in the documentation. +- enable support for kim through kim-api package + +------------------------------------------------------------------- Old: ---- lammps-stable_12Dec2018.tar.gz lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz New: ---- lammps-stable_5Jun2019.tar.gz lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ lammps.spec ++++++ --- /var/tmp/diff_new_pack.Bqcuc3/_old 2019-06-19 21:06:14.918392938 +0200 +++ /var/tmp/diff_new_pack.Bqcuc3/_new 2019-06-19 21:06:14.922392941 +0200 @@ -2,7 +2,7 @@ # spec file for package lammps # # Copyright (c) 2013 SUSE LINUX Products GmbH, Nuernberg, Germany. -# Copyright (c) 2017-2018 Christoph Junghans +# Copyright (c) 2017-2019 Christoph Junghans # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed @@ -17,15 +17,15 @@ # Name: lammps -Version: 20181212 -%define uversion stable_12Dec2018 +Version: 20180605 +%define uversion stable_5Jun2019 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 +%define tversion 827be7af84ca100d394ea1cf6d3bc49f6a8eef92 Source1: https://github.com/lammps/lammps-testing/archive/%{tversion}.tar.gz#/%{name}-testing-%{tversion}.tar.gz BuildRequires: fftw3-devel BuildRequires: gcc-c++ @@ -37,6 +37,7 @@ BuildRequires: voro++-devel BuildRequires: zlib-devel BuildRequires: gsl-devel +BuildRequires: kim-api-devel BuildRequires: cmake BuildRequires: opencl-headers BuildRequires: ocl-icd-devel @@ -144,7 +145,17 @@ %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} -DCMAKE_INSTALL_SYSCONFDIR=/etc -DLAMMPS_TESTING_SOURCE_DIR=$(echo $PWD/../lammps-testing-*) ../cmake +%{cmake} \ + -C ../cmake/presets/all_on.cmake \ + -C ../cmake/presets/nolib.cmake \ + -DBUILD_LIB=ON -DBUILD_MPI=ON -DPKG_PYTHON=ON \ + -DPKG_KIM=ON -DENABLE_TESTING=ON -DPKG_VORONOI=ON \ + -DPKG_GPU=ON -DGPU_API=OpenCL -DFFT=FFTW3 \ + -DPYTHON_INSTDIR=%{python_sitearch} -DCMAKE_INSTALL_SYSCONFDIR=/etc \ +%ifnarch x86_64 i586 + -DPKG_USER-INTEL=OFF \ +%endif + -DLAMMPS_TESTING_SOURCE_DIR=$(echo $PWD/../lammps-testing-*) ../cmake make %{?_smp_mflags} %install @@ -162,6 +173,9 @@ %license LICENSE %{_bindir}/lmp %{_mandir}/man1/lmp.1.* +%{_bindir}/msi2lmp +%{_mandir}/man1/msi2lmp.1.* + %files -n liblammps0 %defattr(-,root,root,-) @@ -173,8 +187,8 @@ %{_includedir}/%{name} %{_libdir}/liblammps.so %{_libdir}/pkgconfig/liblammps.pc -%dir %{_datadir}/cmake/Module -%{_datadir}/cmake/Module/FindLAMMPS.cmake +%dir %{_datadir}/cmake/Modules +%{_datadir}/cmake/Modules/FindLAMMPS.cmake %files -n python-%{name} %defattr(-,root,root,-) ++++++ lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz -> lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz ++++++ /work/SRC/openSUSE:Factory/lammps/lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz /work/SRC/openSUSE:Factory/.lammps.new.4811/lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz differ: char 13, line 1
