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Bug#640118: marked as done (ITP: rdkit -- Collection of cheminformatics and machine-learning software)

Your message dated Sat, 03 Sep 2011 23:32:36 +0000
with message-id <E1QzzhU-0005qU-L6@franck.debian.org>
and subject line Bug#640118: fixed in rdkit 201106+dfsg-1
has caused the Debian Bug report #640118,
regarding ITP: rdkit -- Collection of cheminformatics and machine-learning software
to be marked as done.

This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.

(NB: If you are a system administrator and have no idea what this
message is talking about, this may indicate a serious mail system
misconfiguration somewhere. Please contact owner@bugs.debian.org

640118: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=640118
Debian Bug Tracking System
Contact owner@bugs.debian.org with problems
--- Begin Message ---
Package: wnpp
Severity: wishlist
Owner: Michael Banck <mbanck@debian.org>

* Package name    : rdkit
  Version         : 201106
  Upstream Author : Greg Landrum and Julie Penzotti
* URL             : http://www.rdkit.org/
* License         : BSD
  Programming Lang: C++, Python
  Description     : Collection of cheminformatics and machine-learning software
 RDKit is a Python/C++ based cheminformatics and machine-learning
 software environment.  Features Include:
  * Chemical reaction handling and transforms
  * Substructure searching with SMARTS
  * Canonical SMILES
  * Molecule-molecule alignment
  * Large number of descriptors
  * Fragmentation using RECAP rules
  * 2D coordinate generation and depiction
  * 3D coordinate generation using geometry embedding
  * UFF forcefield
  * Calculation of (R/S) stereochemistry codes
  * Pharmacophore searching
  * Calculation of shape similarity
  * Atom pairs and topological torsions fingerprints
  * Feature maps and feature-maps vectors
  * Machine-learning algorithms
  * Gasteiger-Marsili partial charge calculation
 File formats RDKit supports include MDL Mol, SDF, TDT, SMILES and RDKit
 binary format.


--- End Message ---
--- Begin Message ---
Source: rdkit
Source-Version: 201106+dfsg-1

We believe that the bug you reported is fixed in the latest version of
rdkit, which is due to be installed in the Debian FTP archive:

  to main/r/rdkit/librdkit-dev_201106+dfsg-1_i386.deb
  to main/r/rdkit/librdkit1_201106+dfsg-1_i386.deb
  to main/r/rdkit/python-rdkit_201106+dfsg-1_i386.deb
  to main/r/rdkit/rdkit-data_201106+dfsg-1_all.deb
  to main/r/rdkit/rdkit-doc_201106+dfsg-1_all.deb
  to main/r/rdkit/rdkit_201106+dfsg-1.debian.tar.gz
  to main/r/rdkit/rdkit_201106+dfsg-1.dsc
  to main/r/rdkit/rdkit_201106+dfsg.orig.tar.gz

A summary of the changes between this version and the previous one is

Thank you for reporting the bug, which will now be closed.  If you
have further comments please address them to 640118@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
Michael Banck <mbanck@debian.org> (supplier of updated rdkit 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)

Hash: RIPEMD160

Format: 1.8
Date: Sat, 03 Sep 2011 16:14:53 +0200
Source: rdkit
Binary: python-rdkit rdkit-doc rdkit-data librdkit1 librdkit-dev
Architecture: source i386 all
Version: 201106+dfsg-1
Distribution: unstable
Urgency: low
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
 librdkit-dev - Collection of cheminformatics and machine-learning software (deve
 librdkit1  - Collection of cheminformatics and machine-learning software (shar
 python-rdkit - Collection of cheminformatics and machine-learning software
 rdkit-data - Collection of cheminformatics and machine-learning software (data
 rdkit-doc  - Collection of cheminformatics and machine-learning software (docu
Closes: 640118
 rdkit (201106+dfsg-1) unstable; urgency=low
   * Initial upload (Closes: #640118).
 02b98e3a45a14b80745289062250c0c55beba1e0 1432 rdkit_201106+dfsg-1.dsc
 a8ef65d3a8d55fbd6bf66dfe6a55ea5004d6cae2 9761181 rdkit_201106+dfsg.orig.tar.gz
 1b945d1f686c702faef87de04362ca46b9b9cbdf 4707 rdkit_201106+dfsg-1.debian.tar.gz
 640a1e9c4f67af33aa97344fa84851524658b20e 2639694 python-rdkit_201106+dfsg-1_i386.deb
 a0920576c277adf89c2305abb204fcf3d7d6f3e4 1678148 rdkit-doc_201106+dfsg-1_all.deb
 c82705175b1fd9ba8babc0f5217d788fae2f52e3 444646 rdkit-data_201106+dfsg-1_all.deb
 4e479d4a689db87680afd90a17805b60e757510b 1920182 librdkit1_201106+dfsg-1_i386.deb
 f31f1b338eb88b845deba9869f070254df034906 148668 librdkit-dev_201106+dfsg-1_i386.deb
 c4c6f78b5419de1e5ae67348bd10fc2e5ed6da11bc32fc0dddacf8ca6b0db408 1432 rdkit_201106+dfsg-1.dsc
 82e1ce7183c0df08747f130ea14e458d2c677720d9deca5e096792a9cdb7b903 9761181 rdkit_201106+dfsg.orig.tar.gz
 65539ad5d7233aeb8a72cece83f10d48f04460f010763ede0fa3d15d617bd8bb 4707 rdkit_201106+dfsg-1.debian.tar.gz
 5685c7eddcd316eab112f0764420a87f08526c622e9a6046494b7dc9fbd8c14b 2639694 python-rdkit_201106+dfsg-1_i386.deb
 ae13bc498c982f4961d580c73d14363d1bd119b36acfa62d80a5cc996f3e70dc 1678148 rdkit-doc_201106+dfsg-1_all.deb
 5b715b3d9b24daeaa03c661dce2053d0e1ceaa43f0dfc793631aa7ab6ae09e9f 444646 rdkit-data_201106+dfsg-1_all.deb
 13d966a9cbe080ae42c12609d96eaf739d0649cd4d96a2b14928d4ad9290c1d2 1920182 librdkit1_201106+dfsg-1_i386.deb
 5bc5b37dfa26747172590a90157780c90965352d98ec73a010e6598f6b3b4de1 148668 librdkit-dev_201106+dfsg-1_i386.deb
 67efa7dc50db8c5c05b278b8268960a4 1432 science optional rdkit_201106+dfsg-1.dsc
 ff7987f7115928d2c352a5841cbe72bf 9761181 science optional rdkit_201106+dfsg.orig.tar.gz
 4c2226d1ee29c661a1e8623f6eea58e6 4707 science optional rdkit_201106+dfsg-1.debian.tar.gz
 0a08465bd3c7362bd0546a440e83f88a 2639694 python optional python-rdkit_201106+dfsg-1_i386.deb
 50962a754e6b831b7ef783315fbb88fc 1678148 doc optional rdkit-doc_201106+dfsg-1_all.deb
 4b73e85233fd7a68f46afc3de74adce5 444646 science optional rdkit-data_201106+dfsg-1_all.deb
 2863df31c3008d0326459ad19747ee46 1920182 libs optional librdkit1_201106+dfsg-1_i386.deb
 64e0ecb675d23aa82d77bf1eac7a011b 148668 libdevel optional librdkit-dev_201106+dfsg-1_i386.deb

Version: GnuPG v1.4.10 (GNU/Linux)


--- End Message ---

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