Andrew Clemons 2835dbd259 academic/OpenMM: Fix github tarball handling. 2 years ago
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OpenMM.SlackBuild 2835dbd259 academic/OpenMM: Fix github tarball handling. 2 years ago
OpenMM.info 2835dbd259 academic/OpenMM: Fix github tarball handling. 2 years ago
README 24f7e9543e academic/OpenMM: Added (high-perf toolkit for molecular simulation) 2 years ago
slack-desc 24f7e9543e academic/OpenMM: Added (high-perf toolkit for molecular simulation) 2 years ago

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.