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Bug#680087: ITP: openmm -- library for molecular dynamics

Package: wnpp
Severity: wishlist
Owner: Steffen Moeller <steffen_moeller@gmx.de>

* Package name    : openmm
  Version         : 4.1
* URL             : https://simtk.org/home/openmm_suite
* License         : custom
  Programming Lang: C++, Python
  Description     : library for molecular dynamics

 OpenMM is a library which provides tools for modern molecular modeling
 simulation. As a library it can be hooked into any code, allowing that
 code to do molecular modeling with minimal extra coding.
 Moreover, OpenMM has a strong emphasis on hardware acceleration, thus
 providing not just a consistent API, but much greater performance than
 what one could get from just about any other code available.

A package is 2/3rd complete on 
lacking python packages and various smaller bits like watch files.

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