slackbuilds/academic/OpenMM/README

  A high-performance toolkit for molecular simulation. Use it as an
application, a library, or a flexible programming environment. We
include extensive language bindings for Python, C, C++, and even 
Fortran.

  If you want to build the Python package set the environment 
variable PYTHON=yes (this requires numpy3).

NOTE: if you want to use the python module with OpenCL you shall,
install a OpenCL runtime, such as pocl, or other vendor specific.