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Bug#1020557: marked as done (ITP: xtb -- semiempirical extended tight-binding program package)

Your message dated Tue, 04 Oct 2022 18:00:16 +0000
with message-id <E1ofmDI-009N1k-L4@fasolo.debian.org>
and subject line Bug#1020557: fixed in xtb 6.5.1-1
has caused the Debian Bug report #1020557,
regarding ITP: xtb -- semiempirical extended tight-binding program package
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.

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-- 
1020557: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1020557
Debian Bug Tracking System
Contact owner@bugs.debian.org with problems
--- Begin Message --- 
Package: wnpp
Owner: Andrius Merkys <merkys@debian.org>
Severity: wishlist

* Package name    : xtb
  Version         : 6.5.1
  Upstream Author : Sebastian Ehlert
* URL             : https://github.com/grimme-lab/xtb
* License         : LGPL-3+
  Programming Lang: C, Fortran
  Description     : semiempirical extended tight-binding program package

xtb program performs semiempirical quantummechanical calculations. The
underlying effective Hamiltonian is derived from density functional
tight binding (DFTB). This implementation of the xTB Hamiltonian is
currently compatible with the zeroth, first and second level
parametrisation for geometries, frequencies and non-covalent
interactions (GFN) as well as with the ionisation potential and electron
affinity (IPEA) parametrisation of the GFN1 Hamiltonian. The generalized
born (GB) model with solvent accessable surface area (SASA) is also
available available in this version. Ground state calculations for the
simplified Tamm-Danceoff approximation (sTDA) with the vTB model are
currently not implemented.

Remark: This package is to be maintained with Debichem Team at
   https://salsa.debian.org/debichem-team/xtb

--- End Message ---
--- Begin Message --- 
Source: xtb
Source-Version: 6.5.1-1
Done: Andrius Merkys <merkys@debian.org>

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

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 1020557@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Andrius Merkys <merkys@debian.org> (supplier of updated xtb 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@ftp-master.debian.org)


-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512

Format: 1.8
Date: Fri, 16 Sep 2022 09:04:29 -0400
Source: xtb
Binary: libxtb-dev libxtb6 libxtb6-dbgsym xtb xtb-dbgsym
Architecture: source amd64
Version: 6.5.1-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Andrius Merkys <merkys@debian.org>
Description:
 libxtb-dev - development files for xtb
 libxtb6    - shared library for xtb
 xtb        - semiempirical extended tight-binding program package
Closes: 1020557
Changes:
 xtb (6.5.1-1) unstable; urgency=medium
 .
   * Initial release. (Closes: #1020557)
Checksums-Sha1:
 94b35ab1f66e77fad0aad9097806050980e8a59f 2093 xtb_6.5.1-1.dsc
 95cc1687df135993215ba2ca5dfd98bab80c2efb 1391043 xtb_6.5.1.orig.tar.gz
 25de6c3033a19d2861133d093c4225d622fc0229 8756 xtb_6.5.1-1.debian.tar.xz
 a4014af8bfbac5fccc233561ed3fa547324b3cbf 10480 libxtb-dev_6.5.1-1_amd64.deb
 c01a40a759d29cc2c966ddee405b401536525160 2139524 libxtb6-dbgsym_6.5.1-1_amd64.deb
 f60764a4ec934d6aefe39690ed082639751233f0 1609872 libxtb6_6.5.1-1_amd64.deb
 c0648e4cbfef28fd18971e1e91387b04ecef966b 2102480 xtb-dbgsym_6.5.1-1_amd64.deb
 c95de9700ad4330679af0b0aa59dfd426f46297a 9258 xtb_6.5.1-1_amd64.buildinfo
 fe3df1d2ff8d6c495aca8515b412b69d44b2deb5 1593352 xtb_6.5.1-1_amd64.deb
Checksums-Sha256:
 eed393f5dcc5e92eac9319754986138555189f03dfa7a0fbbcb538cadf047e13 2093 xtb_6.5.1-1.dsc
 8e5840469f9ef2c01ad5cb620481310ace62a7563c5d43375eb3d36463fc3add 1391043 xtb_6.5.1.orig.tar.gz
 5381965afcdfb94d99b098a3a27f022f4c4396a056b86a6d504cc90cd735a879 8756 xtb_6.5.1-1.debian.tar.xz
 3a7eaf881d9df3889e6a99822c31e11ed0c02875e3228f100cffdd56cefb8d5b 10480 libxtb-dev_6.5.1-1_amd64.deb
 4727d6801797f8b62abe7e23f6ea47f4de9058c1ef99268d5ea03497cdb87ab3 2139524 libxtb6-dbgsym_6.5.1-1_amd64.deb
 c5dbacc3960ab8d720a67f80b5ac689a772d168a15aee1ea3330de4c6e3c9470 1609872 libxtb6_6.5.1-1_amd64.deb
 6174aab09caa033a7dd7642da1085b8ada2b8ba7af058d9384c2b20d9b182f2c 2102480 xtb-dbgsym_6.5.1-1_amd64.deb
 998e437dd2386e3c6f0a1c2b4c77b9e24fc346281a94547a00bfc781c34f6cbf 9258 xtb_6.5.1-1_amd64.buildinfo
 4d2299e45dfd463fa53312cb2edd3c9a28447bd58ec5389c87d50460775cd798 1593352 xtb_6.5.1-1_amd64.deb
Files:
 3b7c60d882c05207ee234783fd69c486 2093 science optional xtb_6.5.1-1.dsc
 79d50056998c3f0f21d7f327e2099719 1391043 science optional xtb_6.5.1.orig.tar.gz
 d6933ca25ac4bb499595c20def089703 8756 science optional xtb_6.5.1-1.debian.tar.xz
 e523b2098a80785d990f6604ebefcfe9 10480 libdevel optional libxtb-dev_6.5.1-1_amd64.deb
 4c838ac757f9f4249f2641afacea7d6b 2139524 debug optional libxtb6-dbgsym_6.5.1-1_amd64.deb
 66bebd77be2f36842a365b47ab5584cf 1609872 libs optional libxtb6_6.5.1-1_amd64.deb
 55b99764c0759cc81f835ce5b32bd5c9 2102480 debug optional xtb-dbgsym_6.5.1-1_amd64.deb
 9fb900c0cb3b3b600383a4e8bcd43ec1 9258 science optional xtb_6.5.1-1_amd64.buildinfo
 b7c4fb97d7a63bc7e4df42d6ea0d0f54 1593352 science optional xtb_6.5.1-1_amd64.deb

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--- End Message ---
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