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and subject line Bug#121296: fixed in ghemical 0.81-1
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Date: Mon, 26 Nov 2001 21:17:17 +0100
To: [EMAIL PROTECTED]
Subject: ITP: ghemical -- A GNOME molecular modelling environment
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From: Michael Banck <[EMAIL PROTECTED]>
Delivered-To: [EMAIL PROTECTED]
Package: wnpp
Severity: wishlist
License: gpl
Url: http://people.debian.org/~mbanck/debs
Upstream: http://www.uku.fi/~thassine/ghemical
Description: A GNOME molecular modelling environment
Ghemical is a computational chemistry software package written in C++.
It has a graphical user interface and it supports both quantum-
mechanics (semi-empirical) models and molecular mechanics models.
Geometry optimization, molecular dynamics and a large set of
visualization tools using OpenGL are currently available.
.
Ghemical relies on external code to provide the quantum-mechanical
calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come
from the MOPAC7 package (Public Domain), and are included in the
package.
.
The project started as a freeware molecular modelling package, but
since the graphical user interface part of the package is quite
advanced and clearly written (according to our own biased view, at
least), the package now aims to become a common framework for molecular
modelling programs generally.
If nobody objects, I will upload ghemical_0.81-1 in a couple of days.
Michael
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From: Michael Banck <[EMAIL PROTECTED]>
To: [EMAIL PROTECTED]
X-Katie: $Revision: 1.66 $
Subject: Bug#121296: fixed in ghemical 0.81-1
Message-Id: <[EMAIL PROTECTED]>
Sender: James Troup <[EMAIL PROTECTED]>
Date: Tue, 04 Dec 2001 15:01:04 -0500
Delivered-To: [EMAIL PROTECTED]
We believe that the bug you reported is fixed in the latest version of
ghemical, which has been installed in the Debian FTP archive:
ghemical_0.81-1.diff.gz
to pool/main/g/ghemical/ghemical_0.81-1.diff.gz
ghemical_0.81-1.dsc
to pool/main/g/ghemical/ghemical_0.81-1.dsc
ghemical_0.81-1_i386.deb
to pool/main/g/ghemical/ghemical_0.81-1_i386.deb
ghemical_0.81.orig.tar.gz
to pool/main/g/ghemical/ghemical_0.81.orig.tar.gz
A summary of the changes between this version and the previous one is
attached.
Thank you for reporting the bug, which will now be closed. If you
have further comments please address them to [EMAIL PROTECTED],
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Michael Banck <[EMAIL PROTECTED]> (supplier of updated ghemical package)
(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing [EMAIL PROTECTED])
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Format: 1.7
Date: Sat, 24 Nov 2001 08:54:38 +0100
Source: ghemical
Binary: ghemical
Architecture: source i386
Version: 0.81-1
Distribution: unstable
Urgency: low
Maintainer: Michael Banck <[EMAIL PROTECTED]>
Changed-By: Michael Banck <[EMAIL PROTECTED]>
Description:
ghemical - A GNOME molecular modelling environment
Closes: 121296
Changes:
ghemical (0.81-1) unstable; urgency=low
.
* Initial Release; closes: #121296
* No mpqc-support yet, ghemical needs to be ported to mpqc-2.0.0
Files:
b09c726f262f959ec8ef80eba25f942c 650 science optional ghemical_0.81-1.dsc
fd59a119b5e2397928962cff79d7ecc3 1579384 science optional
ghemical_0.81.orig.tar.gz
b2ff818ea9879c817f98b569814e553a 3242 science optional ghemical_0.81-1.diff.gz
9260556b85b49b2ddcd54b4f1d787133 1153702 science optional
ghemical_0.81-1_i386.deb
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