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Bug#962442: marked as done (ITP: mdtraj -- Read, write and analyze MD trajectories in Python)

Your message dated Sun, 18 Oct 2020 20:10:22 +0000
with message-id <E1kUF0Y-0005w8-Fc@fasolo.debian.org>
and subject line Bug#962442: fixed in mdtraj 1.9.4-1
has caused the Debian Bug report #962442,
regarding ITP: mdtraj -- Read, write and analyze MD trajectories in Python
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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-- 
962442: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=962442
Debian Bug Tracking System
Contact owner@bugs.debian.org with problems
--- Begin Message --- 
Package: wnpp
Severity: wishlist
Owner: Drew Parsons <dparsons@debian.org>

* Package name    : mdtraj
  Version         : 1.9.4
  Upstream Author : Robert McGibbon and team
* URL             : http://mdtraj.org/
* License         : LGPL
  Programming Lang: Python
  Description     : Read, write and analyze MD trajectories in Python

Read, write and analyze MD trajectories with only a few lines of
Python code.

MDTraj is a python library that allows users to manipulate molecular
dynamics (MD) trajectories. Features include:
* Wide MD format support, including pdb, xtc, trr, dcd, binpos,
netcdf, mdcrd, prmtop, and more.
* Extremely fast RMSD calculations (4x the speed of the original
Theobald QCP).
* Extensive analysis functions including those that compute
bonds, angles, dihedrals, hydrogen bonds, secondary structure, and NMR
observables.
* Lightweight, Pythonic API.
	
MDTraj includes a command-line application, mdconvert, for converting
trajectories between formats.

Enhances application of lammps, gromacs, and other molecular dynamics
simulation suites.

Complements or competes with pymatgen and mdanalysis. We need them all
installable in order to be able to test which one is most useful for a
given project.

To be maintained under the Debichem Team.

--- End Message ---
--- Begin Message --- 
Source: mdtraj
Source-Version: 1.9.4-1
Done: Drew Parsons <dparsons@debian.org>

We believe that the bug you reported is fixed in the latest version of
mdtraj, 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 962442@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Drew Parsons <dparsons@debian.org> (supplier of updated mdtraj 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: SHA256

Format: 1.8
Date: Mon, 24 Aug 2020 14:05:10 +0800
Source: mdtraj
Binary: python-mdtraj-doc python3-mdtraj python3-mdtraj-dbgsym
Architecture: source all amd64
Version: 1.9.4-1
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Drew Parsons <dparsons@debian.org>
Description:
 python-mdtraj-doc - Read, write and analyze MD trajectories in Python (documentation)
 python3-mdtraj - Read, write and analyze MD trajectories in Python
Closes: 962442
Changes:
 mdtraj (1.9.4-1) unstable; urgency=medium
 .
   * Initial release (Closes: #962442)
   * create debian patches
     - build_dir_pybuild.patch adapts build scripts to allow for
       pybuild build dir.
     - python_hashbang.patch sets python hashbang to /usr/bin/python3
       in place of /bin/env python
     - test_gsd_skip.patch skips test_gsd.py in tests
       (the gsd module is not available, see RFP#966019)
   * privacy: use local copy of DOI badge
     doi-10.1016_j.bpj.2015.08.015-blue.svg in docs
Checksums-Sha1:
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 11236034f3db81ca0c1b573b87268efffc598d59 21475684 mdtraj_1.9.4.orig.tar.gz
 9e20737ee6be301f3fe6af07b645d2faecf3cf07 6832 mdtraj_1.9.4-1.debian.tar.xz
 e3fd7d5347a295b60aaf366a3cf032e27684523c 8737 mdtraj_1.9.4-1_amd64.buildinfo
 dd8453b021e103168ccd900d65c587ba0b7fbab4 557512 python-mdtraj-doc_1.9.4-1_all.deb
 47b94273796989c4f739c70d90ca5a541118e6ee 5374664 python3-mdtraj-dbgsym_1.9.4-1_amd64.deb
 91f2cb60a05c25f886f5dc7413490f2882169687 1059684 python3-mdtraj_1.9.4-1_amd64.deb
Checksums-Sha256:
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 db41c7d7926c46ccb704e696922a4394ed1c3341df810d6c9ed408aabf2c92b9 6832 mdtraj_1.9.4-1.debian.tar.xz
 4d5908438414ebc9ce6cc21e772befe751c4cb32f941bf73f956fbe0b07ba469 8737 mdtraj_1.9.4-1_amd64.buildinfo
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 23caa0c80e63a35b280ce0e34aed6cafaf946a711389386b81ba49e4a492aefd 1059684 python3-mdtraj_1.9.4-1_amd64.deb
Files:
 0f53da0045557cce6a750f3749583eb2 2252 python optional mdtraj_1.9.4-1.dsc
 10d2aff4b431151514c91992d152966b 21475684 python optional mdtraj_1.9.4.orig.tar.gz
 7c612c938f81df917d711c51d2d618a1 6832 python optional mdtraj_1.9.4-1.debian.tar.xz
 084878b76458a6acf71aaf9e3d8782eb 8737 python optional mdtraj_1.9.4-1_amd64.buildinfo
 f25fdf5d432ebd7c0c95f7e3f6177143 557512 doc optional python-mdtraj-doc_1.9.4-1_all.deb
 08d151f3123ecea2aa845fd87a8fb5f0 5374664 debug optional python3-mdtraj-dbgsym_1.9.4-1_amd64.deb
 7d15a8c6bce683b57749b77f5669774b 1059684 python optional python3-mdtraj_1.9.4-1_amd64.deb

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--- End Message ---
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