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Bug#640718: marked as done (ITP: aces3 -- Advanced Concepts in Electronic Structure III)

Your message dated Sun, 11 Sep 2011 12:02:17 +0000
with message-id <E1R2ijp-0002ur-Ow@franck.debian.org>
and subject line Bug#640718: fixed in aces3 3.0.6-1
has caused the Debian Bug report #640718,
regarding ITP: aces3 -- Advanced Concepts in Electronic Structure III
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
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640718: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=640718
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    : aces3
  Version         : 3.0.6
  Upstream Author : Quantum Theory Project, University of Florida
* URL             : http://www.qtp.ufl.edu/ACES/
* License         : GPL
  Programming Lang: C, Fortran
  Description     : Advanced Concepts in Electronic Structure III

 ACESIII is an electronic structure calculation program with a focus on
 correlated methods.  It is the parallel successor to ACESII, employing
 the Super Instruction Assembly Language (SIAL) as parallelization
 framework.  Features include:
 Energies, analytic gradients and analytic hessians for the following
  * Restricted/unrestricted spin or restricted open-shell Hartree-Fock
  * (HF)
  * Second-order Moeller-Plesset pertubation theory (MP2)
 Energies and analytic gradients for the following methods:
  * Coupled cluster singles and doubles (CCSD)
 Additionally, it can compute energies for the following methods:
  * Coupled cluster singles and doubles with pertubative triples
  * (CCSD(T))
  * Configuration interaction singles and doubles
 Excited states can be calculated by the following methods:
  * Configuration interaction singles and doubles
  * Coupled cluster equation-of-motion (EOM-CC)
 It also includes an internal coordinate geometry optimizer.  If
 analytic gradients are not available, numerical gradients via finite
 differences are used.



--- End Message ---
--- Begin Message ---
Source: aces3
Source-Version: 3.0.6-1

We believe that the bug you reported is fixed in the latest version of
aces3, which is due to be installed in the Debian FTP archive:

  to main/a/aces3/aces3_3.0.6-1.debian.tar.gz
  to main/a/aces3/aces3_3.0.6-1.dsc
  to main/a/aces3/aces3_3.0.6-1_i386.deb
  to main/a/aces3/aces3_3.0.6.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 640718@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 aces3 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: Tue, 06 Sep 2011 22:05:11 +0200
Source: aces3
Binary: aces3
Architecture: source i386
Version: 3.0.6-1
Distribution: unstable
Urgency: low
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
 aces3      - Advanced Concepts in Electronic Structure III
Closes: 640718
 aces3 (3.0.6-1) unstable; urgency=low
   * Initial upload (Closes: #640718)
 4544c5c7e2e53f2f24b0b19676eca14396ee50e9 1268 aces3_3.0.6-1.dsc
 5667b56ca0b570e8ba0abf0dcdd169702b87b913 9616554 aces3_3.0.6.orig.tar.gz
 fa688703e4af47279960f88ee0108580463ad908 7965 aces3_3.0.6-1.debian.tar.gz
 493bdb085a1e11073244463e16466d3d2dc28982 12566476 aces3_3.0.6-1_i386.deb
 4ade374ec8f3f7acc0ae98af1e985a970a076cc405c4a124c0fdf4c52926d211 1268 aces3_3.0.6-1.dsc
 82c7156f5e662c50dc3ef8dc2f1a226a7d285912ea278c15e40556bfa3c825b8 9616554 aces3_3.0.6.orig.tar.gz
 d72eddf313630a4f8bdf5773c29d963d713cc5420126a7cd7b905edadef84d57 7965 aces3_3.0.6-1.debian.tar.gz
 c061e95f0a50043e118e5207a3935546cc5450280d4aafb2a84e67cd01878707 12566476 aces3_3.0.6-1_i386.deb
 0d43779fb2838d55e3259a49e896fd4e 1268 science optional aces3_3.0.6-1.dsc
 73aa3bfa2577a1ac6884cdc585a72c4e 9616554 science optional aces3_3.0.6.orig.tar.gz
 15f3399e1b68ab252adf02410dcfcad2 7965 science optional aces3_3.0.6-1.debian.tar.gz
 718139d28ab590a1e1483fd5e0eefa52 12566476 science optional aces3_3.0.6-1_i386.deb

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--- End Message ---

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