[Debichem-devel] Metapackages for DebiChem?

[Andreas Tille]

On Tue, Jul 13, 2010 at 10:27:39PM +0200, Filippo Rusconi wrote:
> I see two categories:
> 
> Output & visualization -  DebiChem 3D Viewers and Calculation Output
> Visualization   (45*)
> 
> 3d structure viewers - DebiChem 3D Structure Viewers 
> 
> and I wonder if these could not be merged. 

IMHO, they could be merged and my suggestion for the metapackage name
would be

     debichem-visualisation

I propose the following description:


Description: DebiChem 3D Viewers and Calculation Output Visualization
 This metapackage will install 3D Viewers and Calculation Output Visualization
 which might be useful for chemists.

 
> Regarding massXpert and mmass, these two pieces of software allow
> editing polymer sequences and making mass spectrometric simulations on
> these (mmass is also a powerful mass spectrum viewer). Lutefisk is a
> simulations-only program of mass spectrometry.
> 
> I certainly would welcome a Polymer chemistry section where to put
> these two software.


This makes something like


debichem-polymer

Description: DebiChem polymer sequence editors and mass spectroscopy
 This metapackage will install packages which enables you to view and edit
 polymer sequences as well as view and simulate mass spectrometry.

 [Please edit the description - it does not make much sense, but I'm in a
  hurry and just wanted to draft something]

Depends: massxpert, mmass, lutefisk

 
> But I would certainly also welcome a Mass spectrometry section...

As you prefer - I'm just following your suggestions.
 
> These two categories are certainly of great significance in
> chemistry/biochemistry. Is it thinkable to have two tasks encompass
> one or more same packages ?

This was discussed frequently on debian science and debian blends list.
In short:  One package might be useful in several tasks.  We are not
doing a pure (academical) categorisation.  Tasks shuold be complete from
a users point of view who wants to do a certain task and several
programs are usefull for more than only one of our defined tasks.
 
> Sorry if I am not finding complete solutions to these problems :-)

Well, your hints are useful and hopefully might lead to a 0.0.1 version
after another "iteration".

Thanks for your comments

   Andreas. 

-- 
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