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LAMMPS can be downloaded, built, and configured for OS X on a Mac withHomebrew. (Alternatively, see the install instructions forDownload an executable via Conda.) The following LAMMPSpackages are unavailable at this time because of additional needs not yet met:GPU, KOKKOS, LATTE, MSCG, MESSAGE, MPIIO POEMS VORONOI.
After installing Homebrew, you can install LAMMPS on your system withthe following commands:
This will install the executables “lammps_serial” and “lammps_mpi”, as well asthe LAMMPS “doc”, “potentials”, “tools”, “bench”, and “examples” directories.
Once LAMMPS is installed, you can test the installation with theLennard-Jones benchmark file:
The LAMMPS binary is built with the KIM package whichresults in Homebrew also installing the kim-api binaries when LAMMPS isinstalled. In order to use potentials from openkim.org, you caninstall the openkim-models package
If you have problems with the installation you can post issues tothis link.
Thanks to Derek Thomas (derekt at cello.t.u-tokyo.ac.jp) for settingup the Homebrew capability.