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Bug#425039: marked as done (ITP: libint -- Evaluate the integrals in modern atomic and molecular theory)

Your message dated Thu, 16 Feb 2012 21:47:48 +0000
with message-id <E1Ry9B6-00052w-1S@franck.debian.org>
and subject line Bug#425039: fixed in libint 1.1.4-1
has caused the Debian Bug report #425039,
regarding ITP: libint -- Evaluate the integrals in modern atomic and molecular theory
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
immediately.)


-- 
425039: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=425039
Debian Bug Tracking System
Contact owner@bugs.debian.org with problems
--- Begin Message --- 
Package: wnpp
Severity: wishlist
Owner: Daniel Leidert <daniel.leidert@wgdd.de>

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Hash: SHA1

* Package name    : libint
  Version         : 1.1.3
  Upstream Author : Edward Valeev
* URL             : http://www.chem.vt.edu/chem-dept/valeev/software/libint/libint.html
* License         : GPL
  Programming Lang: C/C++
  Description     : Evaluate the integrals in modern atomic and molecular theory

Libint library is used to evaluate the traditional (electron repulsion)
and certain novel two-body matrix elements (integrals) over Cartesian
Gaussian functions used in modern atomic and molecular theory. The idea
of the library is to let computer write optimized code for computing
such integrals. There are two primary advantages to this: much less
human effort is required to write code for computing new integrals, and
code can be optimized specifically for a particular computer
architecture (e.g., vector processor).

Libint has been utilized to implement methods such as Hartree-Fock (HF)
and Kohn-Sham density functional theory (KS DFT), second-order
Moller-Plesset perturbation theory (MP2), coupled cluster singles and
doubles (CCSD) method, as well as explicitly correlated R12 methods.
The following software packages use Libint: 


Improves mpqc (#409025) and psi3.



- -- 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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--- End Message ---
--- Begin Message --- 
Source: libint
Source-Version: 1.1.4-1

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

libint-dbg_1.1.4-1_i386.deb
  to main/libi/libint/libint-dbg_1.1.4-1_i386.deb
libint-dev_1.1.4-1_i386.deb
  to main/libi/libint/libint-dev_1.1.4-1_i386.deb
libint1_1.1.4-1_i386.deb
  to main/libi/libint/libint1_1.1.4-1_i386.deb
libint_1.1.4-1.debian.tar.gz
  to main/libi/libint/libint_1.1.4-1.debian.tar.gz
libint_1.1.4-1.dsc
  to main/libi/libint/libint_1.1.4-1.dsc
libint_1.1.4.orig.tar.gz
  to main/libi/libint/libint_1.1.4.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 425039@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

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


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Hash: RIPEMD160

Format: 1.8
Date: Sun, 12 Feb 2012 22:15:45 +0100
Source: libint
Binary: libint1 libint-dev libint-dbg
Architecture: source i386
Version: 1.1.4-1
Distribution: unstable
Urgency: low
Maintainer: Michael Banck <mbanck@debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Description: 
 libint-dbg - Evaluate the integrals in modern atomic and molecular theory (deb
 libint-dev - Evaluate the integrals in modern atomic and molecular theory (dev
 libint1    - Evaluate the integrals in modern atomic and molecular theory
Closes: 425039
Changes: 
 libint (1.1.4-1) unstable; urgency=low
 .
   * Initial upload (Closes: #425039).
Checksums-Sha1: 
 2bdce2ac365172a176d2bf5b16b2bd2c09c8bbb0 1456 libint_1.1.4-1.dsc
 b5c7fc8e37755061b35e6061a263b0a4cfac3143 350252 libint_1.1.4.orig.tar.gz
 13699ca5c05e1e0d713b523cfc388596226de320 3353 libint_1.1.4-1.debian.tar.gz
 a2ff2496891b046ee63cae9bb92abe6b07e449dd 940244 libint1_1.1.4-1_i386.deb
 38ded3d2af7e6c1cbf0533bc264eca378b17831c 1271402 libint-dev_1.1.4-1_i386.deb
 8d5dedb9b4be8ee35df588bc2d9af2cfa57c0082 596280 libint-dbg_1.1.4-1_i386.deb
Checksums-Sha256: 
 d6e48adb4f367248cef2fbb5318d3e7b5670d47e06efe600a3668e09e1c081e1 1456 libint_1.1.4-1.dsc
 f67b13bdf1135ecc93b4cff961c1ff33614d9f8409726ddc8451803776885cff 350252 libint_1.1.4.orig.tar.gz
 5ce3e50063d4477c5b0c90413b336575eb576d17f7c3bedd6611c8a79d4029fe 3353 libint_1.1.4-1.debian.tar.gz
 b03246a5482097386bd28ff94b43f95580bad1d8a4630ce788e21c1cc8d00904 940244 libint1_1.1.4-1_i386.deb
 4096e012da8c1717c7809f27149f0b6c96c96e5bca770599c459612713449cd6 1271402 libint-dev_1.1.4-1_i386.deb
 08c2efa05bf9cb0bf51340dcd65f6d87b4f26fc9a8cc4dc8a9a193b30f504423 596280 libint-dbg_1.1.4-1_i386.deb
Files: 
 635635217f90af997503949d68295c5d 1456 science optional libint_1.1.4-1.dsc
 6bc36ba047e23e16b5bc9c0cc8f4a9f7 350252 science optional libint_1.1.4.orig.tar.gz
 ef59520a9dea147848d248e3be01530e 3353 science optional libint_1.1.4-1.debian.tar.gz
 2027542979ac471b6abc82112e09e380 940244 libs optional libint1_1.1.4-1_i386.deb
 0858869a17d2fe5b1d857452dfe4be89 1271402 libdevel optional libint-dev_1.1.4-1_i386.deb
 3fe075afe365c06f7a14d1ba1a827caa 596280 debug extra libint-dbg_1.1.4-1_i386.deb

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