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lammps-devel-20180316-bp153.1.17 RPM for ppc64le

From OpenSuSE Leap 15.3 for ppc64le

Name: lammps-devel Distribution: SUSE Linux Enterprise 15 SP3
Version: 20180316 Vendor: openSUSE
Release: bp153.1.17 Build date: Sat Mar 6 10:44:55 2021
Group: Development/Libraries/C and C++ Build host: obs-power8-05
Size: 21269 Source RPM: lammps-20180316-bp153.1.17.src.rpm
Packager: https://bugs.opensuse.org
Url: http://lammps.sandia.gov
Summary: Development headers and libraries for LAMMPS
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 package contains development headers and libraries for LAMMPS.

Provides

Requires

License

GPL-2.0 and GPL-3.0+

Changelog

* Wed Mar 28 2018 junghans@votca.org
  - bump version to 20180316 (stable)
  - many little bugfxes: http://lammps.sandia.gov/bug.html
    * A potentially harmful bug was found and fixed in the pair_style reax/c command
  - Added 858.patch to fix return value on ppc64
* Thu Mar 08 2018 junghans@votca.org
  - bump version to 20180308
  - many little bugfxes: http://lammps.sandia.gov/bug.html
    * Various small changes and bug fixes in preparation for a new stable version release
* Mon Mar 05 2018 junghans@votca.org
  - bump version to 20180222
  - many little bugfxes: http://lammps.sandia.gov/bug.html
    * added a pair lj/cut/coul/wolf command to enable Wolf treatment of Coulombic
    * added a new USER-MOFFF package which is an implementation of the MOF-FF (MOF force field)
    * added a new pair_style ufm command
* Sat Jan 27 2018 junghans@votca.org
  - bump version 20180117
  - many little bugfxes: http://lammps.sandia.gov/bug.html
    * new pair yukawa/kk command
    * new fix python/move command for time integration in Python
    * new pair extep command
    * tools/doxygen directory to build a Doxygen style call graph and API lists for LAMMPS
    * new pair snap/kk and pair zbl/kk commands
    * update of Kokkos library
    * improvements to pair reax/c command
    * new info coeffs command option
    * much faster replicate command for large systems when using many processors
    * improved setup performance for large systems on many processors with molecules and pppm
    * more informative error messages when evaluating variables
  - dropped 30b482975a6a29db2265b44c4f27d6293eacb72f.patch, got merged
* Fri Jan 19 2018 junghans@votca.org
  - fix python install for openSUSE Factory
* Sat Nov 04 2017 junghans@votca.org
  - enable GPU support via OpenCL
  - added 30b482975a6a29db2265b44c4f27d6293eacb72f.patch
* Wed Oct 25 2017 junghans@votca.org
  - bump version 20171023
  - many little bugfxes: http://lammps.sandia.gov/bug.html
    * added a new USER-UEF package
    * added a fix rhok command
    * added a bond_style gromos command compatible with the GROMOS force field.
    * added coreshell variants of the pair born/coul/wolf and pair coul/wolf potentials to the CORESHELL package.
* Wed Oct 25 2017 junghans@votca.org
  - adapt to new openlmi package - source mpivars.h during build
* Mon Sep 11 2017 junghans@votca.org
  - changes license to GPL-2.0 and GPL-3.0+ (#522368)
* Fri Sep 08 2017 junghans@votca.org
  - bump version to 20170901
  - drop 573.diff, got merge upstream
  - many little bugfxes: http://lammps.sandia.gov/bug.html
    * added USER-MESO package
    * new compute aggregate/atom and compute fragment/atom commands
* Tue Aug 15 2017 junghans@votca.org
  - bump version to 20170811
  - many little bugfxes: http://lammps.sandia.gov/bug.html
* Mon Jul 24 2017 jengelh@inai.de
  - RPM group fix.
* Fri Jul 21 2017 junghans@votca.org
  - bump version of 20170706 and move to cmake (upstream 573.diff)
  - Notable new features in this release are:
    * refactoring of the neighbor list construction to be more modular and extensible from packages. active neighbor list modules
      are reported in the output
    * updates, performance improvements and new styles for the KOKKOS and USER-INTEL packages
    * bugfixes and refactoring of parts of AIREBO and AIREBO-M addressing some of the occasionally observed instabilities with the
      LAMMPS implementation
    * new interface to Multi-Scale Coarse-Graining tools of the Voth group via new MSCG package with fix mscg
    * new pair styles lj/charmmfsw/coul/charmmfsh and lj/charmmfsw/coul/long and dihedral style charmmfsh for improved
      compatibility with the CHARMM code using recent versions of the CHARMM force field
    * several new styles in the USER-MISC package
    * improved compatibility with Python 3 (now only the PYTHON package is still Python 2 only), improvements to PyLammps and its
      documentation
    * various updates and performance improvements for USER-DPD package
    * updates and bugfixes to USER-COLVARS
    * new package USER-CGDNA for coarse grained DNA simulations
    * new support for generalized replica exchange (gREM) via temper/grem and fix grem commands
    * support for treating spherical particles as 2d discs
    * improvements for load balancing via recursive bisectioning
    * new SNAP potential for tungsten and tungsten/helium systems
    * updated version of the bundled moltemplate tool
    * updated tutorial for submitting additions and changes to LAMMPS via GitHub
    * improvements to the documentation build tools
    * ambiguous hyperlinks in documentation are made unique
    * spellchecked documentation and comments
    * removed the obsolete xmovie software
    * many little cleanups, bug fixes and removal of dead or obsolete code, including in the tools folder

Files

/usr/include/lammps
/usr/include/lammps/library.h
/usr/lib64/liblammps.so
/usr/lib64/pkgconfig/liblammps.pc
/usr/share/doc/packages/lammps-devel
/usr/share/doc/packages/lammps-devel/LICENSE


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Fabrice Bellet, Sat Mar 9 14:38:19 2024