Bug#324632: marked as done (ITP: gausssum -- Scripts which parse the output of Gaussian and GAMESS)
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and subject line Bug#324632: fixed in gausssum 1.0.2-2
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From: LI Daobing <lidaobing@gmail.com>
To: Debian Bug Tracking System <submit@bugs.debian.org>
Subject: ITP: gausssum -- Scripts which parse the output of Gaussian and GAMESS
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Date: Tue, 23 Aug 2005 15:42:27 +0800
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Package: wnpp
Severity: wishlist
Owner: LI Daobing <lidaobing@gmail.com>
* Package name : gausssum
Version : 0.9
Upstream Author : Noel O'Boyle
* URL : http://gausssum.sourceforge.net/
* License : GPL
Description : Scripts which parse the output of Gaussian and GAMESS
GaussSum can do the following: (Gau=Gaussian, GAM=GAMESS)
.
* display all lines containing a certain phrase (Gau/GAM)
* follow the progress of the SCF convergence (Gau/GAM)
* follow the progress of a geometry optimisation (Gau/GAM)
* extract molecular orbital information, including contributions of
groups of atoms to the molecular orbitals (Gau/GAM)
* plot the density of states spectrum (and the partial density of
states, in the case of groups of atoms) (Gau/GAM)
* plot the crystal orbital overlap population (COOP) spectrum, which
gives information on the bonding/anti-bonding nature of an overlap
between atoms/groups (Gau/GAM)
* extract information on the UV-Vis transitions, including the change
in the charge density of groups of atoms (Gau)
* plot the UV-Vis spectrum (Gau)
* automate the creation of electron density difference maps, which
visually show the change in charge density associated with a given
electronic transition (Gau)
* extract information on IR and Raman vibrations (Gau)
* plot the IR and Raman spectra, which may be scaled using general or
individual scaling factors (Gau)
-- System Information:
Debian Release: testing/unstable
APT prefers unstable
APT policy: (500, 'unstable'), (1, 'experimental')
Architecture: i386 (i686)
Shell: /bin/sh linked to /bin/bash
Kernel: Linux 2.6.12-1-686-smp
Locale: LANG=en_US.UTF-8, LC_CTYPE=en_US.UTF-8 (charmap=UTF-8)
---------------------------------------
Received: (at 324632-close) by bugs.debian.org; 31 Jan 2006 16:50:29 +0000
>From joerg@spohr.debian.org Tue Jan 31 08:50:29 2006
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From: Jordan Mantha <mantha@ubuntu.com>
To: 324632-close@bugs.debian.org
X-Katie: lisa $Revision: 1.31 $
Subject: Bug#324632: fixed in gausssum 1.0.2-2
Message-Id: <E1F3yhS-0006ue-PQ@spohr.debian.org>
Sender: Joerg Jaspert <joerg@spohr.debian.org>
Date: Tue, 31 Jan 2006 08:49:50 -0800
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Source: gausssum
Source-Version: 1.0.2-2
We believe that the bug you reported is fixed in the latest version of
gausssum, which is due to be installed in the Debian FTP archive:
gausssum_1.0.2-2.diff.gz
to pool/main/g/gausssum/gausssum_1.0.2-2.diff.gz
gausssum_1.0.2-2.dsc
to pool/main/g/gausssum/gausssum_1.0.2-2.dsc
gausssum_1.0.2-2_all.deb
to pool/main/g/gausssum/gausssum_1.0.2-2_all.deb
gausssum_1.0.2.orig.tar.gz
to pool/main/g/gausssum/gausssum_1.0.2.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 324632@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Jordan Mantha <mantha@ubuntu.com> (supplier of updated gausssum 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 ftpmaster@debian.org)
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Format: 1.7
Date: Tue, 17 Jan 2006 14:15:29 -0800
Source: gausssum
Binary: gausssum
Architecture: all source
Version: 1.0.2-2
Distribution: unstable
Urgency: low
Maintainer: Jordan Mantha <mantha@ubuntu.com>
Changed-By: Jordan Mantha <mantha@ubuntu.com>
Description:
gausssum - Parses and displays Gaussian, GAMESS, and HyperChem output
Closes: 324632
Changes:
gausssum (1.0.2-2) unstable; urgency=low
.
* Took over ITP for LI Daobing (closes: #324632)
- cleaned up debian/rules
- added .desktop file
- added man page
Files:
ed5bd4d7efec6ad69d1c7262f49ccd92 593 science optional gausssum_1.0.2-2.dsc
3c0e791066063005499c2786a51635a9 6913 science optional gausssum_1.0.2-2.diff.gz
3d506691da4a422f6957321cb9909ec5 143728 science optional gausssum_1.0.2.orig.tar.gz
86af0075edc59a5f5867a7ba47111a6f 148394 science optional gausssum_1.0.2-2_all.deb
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