[med-svn] r2358 - in trunk/packages/mgltools: . cmolkit cmolkit/trunk/debian
smoe-guest at alioth.debian.org
smoe-guest at alioth.debian.org
Mon Jul 28 22:29:42 UTC 2008
Author: smoe-guest
Date: 2008-07-28 22:29:41 +0000 (Mon, 28 Jul 2008)
New Revision: 2358
Added:
trunk/packages/mgltools/cmolkit/
Modified:
trunk/packages/mgltools/cmolkit/trunk/debian/changelog
trunk/packages/mgltools/cmolkit/trunk/debian/control
trunk/packages/mgltools/cmolkit/trunk/debian/copyright
trunk/packages/mgltools/cmolkit/trunk/debian/pycompat
Log:
Hm. Where is debian rules?
Copied: trunk/packages/mgltools/cmolkit (from rev 2357, trunk/packages/mgltools/molkit)
Property changes on: trunk/packages/mgltools/cmolkit
___________________________________________________________________
Name: svn:mergeinfo
+
Modified: trunk/packages/mgltools/cmolkit/trunk/debian/changelog
===================================================================
--- trunk/packages/mgltools/molkit/trunk/debian/changelog 2008-07-28 17:55:44 UTC (rev 2357)
+++ trunk/packages/mgltools/cmolkit/trunk/debian/changelog 2008-07-28 22:29:41 UTC (rev 2358)
@@ -1,4 +1,4 @@
-mgltools-molkit (5.2.cvs.20080726-1) unstable; urgency=low
+mgltools-cmolkit (5.2.cvs.20080726-1) unstable; urgency=low
* Initial release.
Modified: trunk/packages/mgltools/cmolkit/trunk/debian/control
===================================================================
--- trunk/packages/mgltools/molkit/trunk/debian/control 2008-07-28 17:55:44 UTC (rev 2357)
+++ trunk/packages/mgltools/cmolkit/trunk/debian/control 2008-07-28 22:29:41 UTC (rev 2358)
@@ -1,4 +1,4 @@
-Source: mgltools-molkit
+Source: mgltools-cmolkit
Section: non-free/science
Priority: optional
Maintainer: Debian-Med Packaging Team <debian-med-packaging at lists.alioth.debian.org>
@@ -12,15 +12,15 @@
Vcs-Svn: svn://svn.debian.org/svn/debian-med/trunk/packages/mgltools/molkit/trunk/
Homepage: http://mgltools.scripps.edu/
-Package: mgltools-molkit
+Package: mgltools-cmolkit
XB-Python-Version: ${python:Versions}
Architecture: all
-Depends: ${shlibs:Depends}, ${misc:Depends}, ${python:Depends}, mgltools-pybabel, mgltools-dejavu, mgltools-bhtree, mgltools-sff
-Suggests: pdb2pqr
-Description: Python classes to read and manipulate molecules
- This package is part of the mgltools set of Python libraries which
- provide an infrastructure for the analysis of protein structures and
+Depends: ${shlibs:Depends}, ${misc:Depends}, ${python:Depends}
+Suggests: gromacs
+Description: Python classes to interpret trajectories of Gromacs
+ This package is an optional part of the mgltools set of Python libraries
+ which provide an infrastructure for the analysis of protein structures and
their docking of chemical compounds.
.
- It provides a series of functions to calculate properties of
- protein structures and allows performing local modifications.
+ It allows to read and analyse the trajectories of molecular dynamics
+ simulations performed with Gromacs.
Modified: trunk/packages/mgltools/cmolkit/trunk/debian/copyright
===================================================================
--- trunk/packages/mgltools/molkit/trunk/debian/copyright 2008-07-28 17:55:44 UTC (rev 2357)
+++ trunk/packages/mgltools/cmolkit/trunk/debian/copyright 2008-07-28 22:29:41 UTC (rev 2358)
@@ -5,7 +5,10 @@
Upstream Authors:
- The main development is performed by the researchers
+ This packages takes code from Gromacs and prepares a
+ wrapper for Python.
+
+ The Python development is performed by the researchers
and developers at the
Molecular Graphics Laboratory <mgltools at scripps.edu>
@@ -16,71 +19,23 @@
with contributions by
- Ruth Huey <rhuey at scripps.edu>
- Michael F. Sanner <sanner at scripps.edu>
Anna Omelchenko <annao at scripps.edu>
- William M. Lindstrom
- Kevin Chan
- Sophie COON
- Sowjanya Karnati
- Garrett M. Morris <garrett at scripps.edu>
- Sargis Dallakyan <sargis at scripps.edu>
- Daniel Stoffler
+ Gromacs is developed by
- External contributors for pdb2pqr which is also
- available on http://sourceforge.net/projects/pdb2pqr
- are
-
- Jens Erik Nielsen <Jens.Nielsen at ucd.ie>
- Todd Dolinsky <todd at ccb.wustl.edu>
- Nathan A. Baker <baker at biochem.wustl.edu>
- David J. Heisterberg <djh at osc.edu>
- Mike Bradley
+ David van der Spoel, Erik Lindahl, Berk Hess, and others.
- and the subpackage propka is contributed by
-
- HUI LI
- ANDREW D. ROBERTSON
- JAN H. JENSEN
- TODD DOLINSKY
-
- which again comprises external contributions fro
-
- Michael Holst
-
- MALOC is written by Michael Holst
-
- pdb2pqr/config/compile is written by Tom Tromey <tromey at cygnus.com>
-
-
Copyright:
The respective authors and the Scripps Research Institute
1992-2008 Michael Sanner <sanner at scripps.edu>
- PDB2PQR is Copyrigth (C) Jens Erik Nielsen 2002-2003, UCSD/HHMI
- and Copyright (c) 2002-2007. Washington University in St. Louis.
+ Gromacs is
+ Copyright (c) 1991-2000, University of Groningen, The Netherlands.
+ Copyright (c) 2001-2004, The GROMACS development team, see gromacs.org.
- Dept. of Biochemistry and Molecular Biophysics
- Center for Computational Biology
- Washington University in St. Louis
-
- MALOC = < Minimal Abstraction Layer for Object-oriented C > is
- Copyright (C) 1994--2000 Michael Holst
-
- pdb2pqr/config/compile is Copyright 1999, 2000 Free Software Foundation, Inc.
- Written by Tom Tromey <tromey at cygnus.com>.
-
- pdb2pqr/config/ltconfig is copyright (C) 1996-1999 Free Software Foundation, Inc.
- Originally by Gordon Matzigkeit <gord at gnu.ai.mit.edu>, 1996
-
- pdb2pqr/config/missing is copyright 1996, 1997, 1999, 2000 Free Software Foundation, Inc.
- Originally by Fran,cois Pinard <pinard at iro.umontreal.ca>, 1996.
-
-
License:
All files distributed or redistributed in this package are subject
@@ -132,36 +87,8 @@
NO OBLIGATION TO PROVIDE MAINTENANCE, SUPPORT, UPDATES, ENHANCEMENTS, OR
MODIFICATIONS.
- PDB2PQR is distributed under
- the terms of the GNU General Public License as published by
- the Free Software Foundation; either version 2 of the License, or
- (at your option) any later version.
+ Gromacs is licensed under the GPL version 2 or any later version.
-Comment by the package maintainer: it should however be noted,
-that recently upstream has changed their license to a more liberal
-license. PDB2PQR is currently being packaged for Debian, however there
-seems an incompatiblity to prevail and thus this separate package
-continues to be distributed with the mgltools.
-
-
- MALOC and pdb2pqr/config/compile
- come with the GPL license of version two or higher:
-
- This program is free software; you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by the
- Free Software Foundation; either version 2 of the License, or (at your
- option) any later version.
-
- This program is distributed in the hope that it will be useful,
- but WITHOUT ANY WARRANTY; without even the implied warranty of
- MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
- ee the GNU General Public License for more details.
-
- You should have received a copy of the GNU General Public License along
- with this program; if not, write to the Free Software Foundation, Inc.,
- 675 Mass Ave, Cambridge, MA 02139, USA.
-
-
The Debian packaging is (C) 2007-2008, Steffen Moeller <moeller at debian.org> and
is licensed under the GPL, see '/usr/share/common-licenses/GPL'.
Modified: trunk/packages/mgltools/cmolkit/trunk/debian/pycompat
===================================================================
--- trunk/packages/mgltools/molkit/trunk/debian/pycompat 2008-07-28 17:55:44 UTC (rev 2357)
+++ trunk/packages/mgltools/cmolkit/trunk/debian/pycompat 2008-07-28 22:29:41 UTC (rev 2358)
@@ -1 +0,0 @@
-2
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