lammps

USE flags

• cuda - Enable cuda gpu computing support
• examples - Install examples, usually source code
• gzip - Compress files with Lempel-Ziv coding (LZ77)
• hip - Enable hip gpu computing support
• 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
• opencl - Enable opencl gpu computing support
• python - Add optional support/bindings for the Python language
• python_targets_python3_10 - Build with Python 3.10
• python_targets_python3_11 - Build with Python 3.11
• python_targets_python3_9 - Build with Python 3.9
• test - Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)