Re: Bug#428198: ITP: gabedit -- graphical interface to Ab Initio packages

2007-06-13 Thread Daniel Leidert
Am Sonntag, den 10.06.2007, 08:41 +0200 schrieb Luca Brivio:
 Daniel Leidert wrote:
  Gabedit is a graphical user interface to computational chemistry
  packages, like:
 
   - GAMESS-US
   - Gaussian
   - Molcas
   - Molpro
   - MPQC
   - Q-Chem
 
 Maybe the fact that MPQC is the only one which is free and already in Debian 
 (so that this package will go in the main section) could be worth some 
 highlighting (e.g. Gabedit is a graphical user interface to MPQC and to 
 following proprietary/commercial software: [...],

This could be a choice. But I would probably add this information to the
manpage, not to the package documentation.

 maybe also append like 
 MPQC to the short description and make it Recommends: the latter). After 
 all, Debian is about software freedom. :-)

I don't think, the fact that mpqc is a DFSG-compliant software, warrants
a recommends. There is no reason to recommend an Ab Initio package, just
because it's free. Different users have different needs :) So they will
choose one or more Ab Initio package based on their needs.

BTW: The package (already/currently) suggests mpqc. This is IMHO enough.

Regards, Daniel


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Re: Bug#428198: ITP: gabedit -- graphical interface to Ab Initio packages

2007-06-10 Thread Luca Brivio
Daniel Leidert wrote:
 Gabedit is a graphical user interface to computational chemistry
 packages, like:

  - GAMESS-US
  - Gaussian
  - Molcas
  - Molpro
  - MPQC
  - Q-Chem

Maybe the fact that MPQC is the only one which is free and already in Debian 
(so that this package will go in the main section) could be worth some 
highlighting (e.g. Gabedit is a graphical user interface to MPQC and to 
following proprietary/commercial software: [...], maybe also append like 
MPQC to the short description and make it Recommends: the latter). After 
all, Debian is about software freedom. :-)

--
Luca Brivio


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Bug#428198: ITP: gabedit -- graphical interface to Ab Initio packages

2007-06-09 Thread Daniel Leidert
Package: wnpp
Severity: wishlist
Owner: Daniel Leidert [EMAIL PROTECTED]

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1

* Package name: gabedit
  Version : 2.0.11
  Upstream Author : Abdul-Rahman Allouche [EMAIL PROTECTED]
* URL : http://gabedit.sourceforge.net
* License : MIT/X styled license
  Programming Lang: C
  Description : graphical interface to Ab Initio packages

Gabedit is a graphical user interface to computational chemistry
packages, like:

 - GAMESS-US
 - Gaussian
 - Molcas
 - Molpro
 - MPQC
 - Q-Chem

running locally or on a remote server. It can display a variety of
calculation results including support for most major molecular file
formats. The advanced Molecule Builder allows to rapidly sketch in
molecules and examine them in 3D. Graphics can be exported to various
formats, including animations.



The package is actively maintained by the debichem project members at
alioth.debian.org.


- -- System Information:
Debian Release: lenny/sid
  APT prefers unstable
  APT policy: (850, 'unstable'), (700, 'testing'), (550, 'stable'), (110, 
'experimental')
Architecture: i386 (i686)

Kernel: Linux 2.6.20.3 (PREEMPT)
Locale: LANG=de_DE, LC_CTYPE=de_DE (charmap=ISO-8859-1)
Shell: /bin/sh linked to /bin/bash

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