Path: csiph.com!aioe.org!bofh.it!news.nic.it!robomod From: Drew Parsons Newsgroups: linux.debian.bugs.dist,linux.debian.maint.python Subject: Bug#966019: RFP: python-gsd -- native file format for HOOMD-blue Date: Wed, 22 Jul 2020 11:30:01 +0200 Message-ID: X-Original-To: Debian Bug Tracking System X-Mailbox-Line: From debian-bugs-dist-request@lists.debian.org Wed Jul 22 09:21:09 2020 Old-Return-Path: X-Spam-Flag: NO X-Spam-Score: -0.7 Reply-To: Drew Parsons , 966019@bugs.debian.org Resent-To: debian-bugs-dist@lists.debian.org Resent-Cc: debichem-devel@lists.alioth.debian.org, debian-science@lists.debian.org, debian-python@lists.debian.org, wnpp@debian.org X-Debian-Pr-Message: report 966019 X-Debian-Pr-Package: wnpp X-Spam-Bayes: score:0.0000 Tokens: new, 23; hammy, 150; neutral, 51; spammy, 0. spammytokens: hammytokens:0.000-+--H*M:reportbug, 0.000-+--H*MI:reportbug, 0.000-+--H*x:reportbug, 0.000-+--H*UA:reportbug, 0.000-+--U*debian-python X-Originating-IP: 134.115.236.203 Content-Type: text/plain; charset="us-ascii" MIME-Version: 1.0 Content-Transfer-Encoding: 7bit X-Mailer: reportbug 7.7.0 X-Debian-Message: from BTS X-Mailing-List: archive/latest/1614910 List-ID: List-URL: Approved: robomod@news.nic.it Lines: 26 Organization: linux.* mail to news gateway Sender: robomod@news.nic.it X-Original-Date: Wed, 22 Jul 2020 17:17:37 +0800 X-Original-Message-ID: <159540945726.1230004.10436933729649633961.reportbug@monte.emerall.com> Xref: csiph.com linux.debian.bugs.dist:1018838 linux.debian.maint.python:12789 Package: wnpp Severity: wishlist X-Debbugs-Cc: debichem-devel@lists.alioth.debian.org, debian-science@lists.debian.org, debian-python@lists.debian.org Control: block 962440 by -1 * Package name : python-gsd Version : 2.1.2 Upstream Author : Joshua A. Anderson et al, University of Michigan * URL : https://gsd.readthedocs.io * License : BSD-2 Programming Lang: Python Description : native file format for HOOMD-blue The GSD file format is the native file format for HOOMD-blue. GSD files store trajectories of the HOOMD-blue system state in a binary file with efficient random access to frames. GSD allows all particle and topology properties to vary from one frame to the next. Use the GSD Python API to specify the initial condition for a HOOMD-blue simulation or analyze trajectory output with a script. Read a GSD trajectory with a visualization tool to explore the behavior of the simulation. Required by mdanalysis. Suitable for package within the Debichem team, but the Debian Science Team or Debian Python Module Team could also maintain it.