lammps

Description:Large-scale Atomic/Molecular Massively Parallel Simulator
License: GPL-2
Homepage:https://lammps.sandia.gov/
Location:Portage
Legend:
  • + - stable
  • ~ - unstable
  • M - hardmask
alpha amd64 arm hppa ia64 m68k mips ppc ppc64 s390 sh sparc x86
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20181212 diff - ~ - - - - - - - - - - ~
20180822 diff - ~ - - - - - - - - - - ~
20180316 diff - + - - - - - - - - - - +
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20180117 - ~ - - - - - - - - - - ~

USE flags

  • cuda - Enable cuda non-bonded kernels
  • doc - Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally
  • examples - Install examples, usually source code
  • gzip - Compress files with Lempel-Ziv coding (LZ77)
  • lammps-memalign - Enables the use of the posix_memalign() call instead of malloc() when large chunks or memory are allocated by LAMMPS. Aliengnment is on 16 byte boundaries.
  • mpi - Add MPI (Message Passing Interface) layer to the apps that support it
  • netcdf - Enable NetCDF data format support
  • python - Add optional support/bindings for the Python language
  • python_targets_python2_7 - Build with Python 2.7
  • python_targets_python3_3 - Build with Python 3.3
  • python_targets_python3_4 - Build with Python 3.4
  • python_targets_python3_5 - Build with Python 3.5
  • python_targets_python3_6 - Build with Python 3.6
  • python_targets_python3_7 - Build with Python 3.7
  • static - !!do not set this during bootstrap!! Causes binaries to be statically linked instead of dynamically
  • static-libs - Build static versions of dynamic libraries as well
  • test - Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)

Also available in: Atom

Thank you!