[Debichem-devel] Looking for a mentor -- multiscale molecular modeling package MMB (and molmodel)

[Andreas Tille]

Hi,

On Wed, Feb 27, 2019 at 10:02:32AM +0200, Andrius Merkys wrote:
> Hi Samuel,
> 
> On 2019-02-26 18:27, Samuel Flores wrote:
> > I would like some help packaging MacroMoleculeBuilder (MMB) for distribution in Debian or Ubuntu. It is a mature piece of code, used to publish many scientific articles in structural bioinformatics and structural and molecular biology. It has been downloaded thousands of times.
> 
> I would gladly help with the packaging of this modeling tool.
> 
> > I would be happy to change MMB's license to be compatible with this process.
> 
> You are absolutely right to start with the license check. Debian accepts
> only those licenses that are compatible with Debian Free Software Guides
> [1]. You can find (incomplete) list of DFSG-compatible licenses here [2].
> 
> [1] http://www.debian.org/social_contract#guidelines
> [2] https://wiki.debian.org/DFSGLicenses
> 
> > MMB requires OpenMM, simbody, and SeqAn, I believe all of these are already packaged. It also requires SimTK molmodel which is not packaged -- I am the maintainer of molmodel and would like to package this as well. Molmodel is not hard to compile, but it does use cmake. 
> 
> OpenMM and molmodel are not yet in Debian, AFAIK. Thus they have to be
> packaged before the MMB. To start with, I would suggest reading the
> introduction to packaging [3], as Andrey has advised.

I'd recommend to discuss this with DebiChem team (list in CC)
 
> Andrius Merkys
> Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325
> LT-10257 Vilnius, Lithuania

See you soon at Debian Med sprint

      Andreas. 

-- 
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