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Diffstat (limited to 'academic/OpenMM/README')
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diff --git a/academic/OpenMM/README b/academic/OpenMM/README new file mode 100644 index 0000000000..3bd6b80eb9 --- /dev/null +++ b/academic/OpenMM/README @@ -0,0 +1,10 @@ + 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. |