mirror of
https://github.com/Ponce/slackbuilds
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49 lines
2.3 KiB
Text
49 lines
2.3 KiB
Text
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LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
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Simulator.
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It is a classical molecular dynamics simulation code designed to
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run efficiently on parallel computers. It was developed at Sandia
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National Laboratories, a US Department of Energy facility.
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A basic installation of LAMMPS can be enhanced enabling the build of
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internal or external extensions (packages) that add methods and/or
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give support to third parts libraries or platforms.
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Dependencies strictly needed to build LAMMPS with most internal
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packages enabled are already present in a full installation of
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Slackware 15.0 and the slackbuild can be launched without any other
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dependency not released with the official Slackware. Only openmpi is
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highly recommended since LAMMPS takes advantage of the parallel
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computation. Furthermore some packages require it as strictly
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dependency. Instead of openmpi LAMMPS can be build with the support
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of mpich, although the latter does not support the enabling of a
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package (OPENMP). If any MPI platform is found in the system, LAMMPS
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will be built anyway but with a reduced functionality.
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Other optional dependencies available in Slackbuilds.org are
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autodetected and allow the enabling of some additional packages: HDF5,
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OpenBLAS, python3-numpy, voro++, PLUMED, netcdf. Other packages need
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third parts libraries given by downloaded extrafile and bundled in
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the application during the compilation. The slackbuild prevent the
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download during the build, so you have to download these extrafiles
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listed in lammps.info. Optional dependencies and the download of
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extrafiles are not needed if you do not require the respective
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packages.
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Warning: except to GPU, all packages are enabled by default if no
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dependencies are required (or they dependencies are found in the
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system), but you have to disable the packages that require the
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extrafiles listed in lammps.info if you do not download them,
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otherwise the build fails during the check of cmake.
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For GPU package you can try:
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GPU=yes ./lammps.SlackBuild
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or
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GPU=yes STATIC_OCL=yes ./lammps.SlackBuild
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The latter uses an internal static OpenCL loader.
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See README.SBo for a full list of available packages and their
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dependencies.
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Some packages available in the source of LAMMPS cannot be enabled for
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reasons reported in README.SBo.
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