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Bug#1015857: marked as done (ITP: parmed -- parameter and topology file editor and molecular mechanical simulator)

Your message dated Tue, 04 Oct 2022 18:00:14 +0000
with message-id <E1ofmDG-009N0u-Hu@fasolo.debian.org>
and subject line Bug#1015857: fixed in parmed 3.4.3+dfsg-1
has caused the Debian Bug report #1015857,
regarding ITP: parmed -- parameter and topology file editor and molecular mechanical simulator
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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-- 
1015857: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1015857
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    : parmed
  Version         : 3.4.3
  Upstream Author : Dwight Mcgee, Bill Miller III, and Jason Swails
* URL             : https://parmed.github.io/ParmEd/html/index.html
* License         : GPL-2+
  Programming Lang: Python 3
  Description     : parameter and topology file editor and molecular
mechanical simulator

ParmEd is a package designed to facilitate creating and easily
manipulating molecular systems that are fully described by a common
classical force field. Supported force fields include Amber, CHARMM,
AMOEBA, and several others that share a similar functional form (e.g.,
GROMOS).

ParmEd is capable of reading and writing to a wide array of different
file formats, like the Amber topology and coordinate files, CHARMM PSF,
parameter, topology, and coordinate files, Tinker parameter, topology,
and coordinate files, and many others. The expressive central data
structure (the Structure class) makes it easy to quickly and safely
manipulate a chemical system, its underlying topology, and force field
parameters describing its potential energy function.

There are two parts of ParmEd---a documented API that you can
incorporate into your own Python scripts and programs, and a GUI/CLI
pair of programs that provide a means to quickly perform various
modifications to chemical systems for rapid prototyping.

The API also provides bindings to the OpenMM library, permitting you to
carry out full molecular dynamics investigations using ParmEd on
high-performant hardware, like AMD and NVidia GPUs.

To be maintained inside DebiChem Team.

--- End Message ---
--- Begin Message --- 
Source: parmed
Source-Version: 3.4.3+dfsg-1
Done: Andrius Merkys <merkys@debian.org>

We believe that the bug you reported is fixed in the latest version of
parmed, 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 1015857@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 parmed 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: Thu, 04 Aug 2022 10:16:53 -0400
Source: parmed
Binary: python3-parmed python3-parmed-dbgsym
Architecture: source amd64
Version: 3.4.3+dfsg-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Andrius Merkys <merkys@debian.org>
Description:
 python3-parmed - parameter and topology file editor and molecular mechanical simul
Closes: 1015857
Changes:
 parmed (3.4.3+dfsg-1) unstable; urgency=medium
 .
   * Initial release. (Closes: #1015857)
Checksums-Sha1:
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 951a40effeda56c17d1428d0af2d6eafab3ab7ea 23561832 parmed_3.4.3+dfsg.orig.tar.xz
 5e1eca4f4c693250860cfedad6506038a5de4af2 6868 parmed_3.4.3+dfsg-1.debian.tar.xz
 9958502b7bd7584d7d3a26404e851fdb781b89d7 10359 parmed_3.4.3+dfsg-1_amd64.buildinfo
 fb7ead96c47151d151e617caf742558ab8869b82 261412 python3-parmed-dbgsym_3.4.3+dfsg-1_amd64.deb
 5476a1a9057500568696219554d1cc5034613802 409664 python3-parmed_3.4.3+dfsg-1_amd64.deb
Checksums-Sha256:
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 405248a6d86ee17ec78cffb3c92d7db53731f7904c3adbd63ca82ee1dd10c6e4 6868 parmed_3.4.3+dfsg-1.debian.tar.xz
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 df35ce9ace16446ce365f122e875bf78cc835449460a42cb9aadea964d8dd8d8 261412 python3-parmed-dbgsym_3.4.3+dfsg-1_amd64.deb
 72f302d9d323f7ca1cfdef59d9f2c26f96f645211add91f468f85efbff08d0c1 409664 python3-parmed_3.4.3+dfsg-1_amd64.deb
Files:
 2a45d3344acf71dfe42b8ad19b4e6e6d 2162 science optional parmed_3.4.3+dfsg-1.dsc
 f9ab9d26cfac82b3f6d0e690be474320 23561832 science optional parmed_3.4.3+dfsg.orig.tar.xz
 6be54e505b3f48b8bc11cb53931ac4a1 6868 science optional parmed_3.4.3+dfsg-1.debian.tar.xz
 e6d0e304d670a5e7af0e823b8cb0a32f 10359 science optional parmed_3.4.3+dfsg-1_amd64.buildinfo
 77771bac7c6aff9517039316c89a4d2b 261412 debug optional python3-parmed-dbgsym_3.4.3+dfsg-1_amd64.deb
 c1bbc5d57bdc55d55fd3c00f9861d254 409664 science optional python3-parmed_3.4.3+dfsg-1_amd64.deb

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--- End Message ---
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