[Debichem-devel] Bug#680087: ITP: openmm -- library for molecular dynamics

Andreas Tille andreas at an3as.eu
Wed Jul 4 07:58:33 UTC 2012


check out how fast this ended up on the tasks pages:


So it is a good idea to prepare your package in VCS when issuing an ITP
bug.  DebiChem might also want to add a Dependency to their tasks.

Kind regards


On Tue, Jul 03, 2012 at 03:38:28PM +0200, Steffen Moeller wrote:
> Package: wnpp
> Severity: wishlist
> Owner: Steffen Moeller <steffen_moeller at 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 
> http://anonscm.debian.org/viewvc/debichem/experimental/openmm/debian/
> lacking python packages and various smaller bits like watch files.
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> Archive: http://lists.debian.org/20120703133828.11315.30274.reportbug@gpu1.dermacloud.uni-luebeck.de


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