[Bug 1189015] Review Request: python-MDAnalysis - Analyze and manipulate molecular dynamics trajectories

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

 



https://bugzilla.redhat.com/show_bug.cgi?id=1189015



--- Comment #22 from Antonio Trande <anto.trande@xxxxxxxxx> ---
This is from source archive on
https://rathann.fedorapeople.org/review/python-MDAnalysis/python-MDAnalysis-0.13.0-3.fc23.src.rpm

**************************************************************
$ ll MDAnalysis/coordinates/xdrfile/src
total 420
-rw-rw-r--. 1 sagitter sagitter   1699 Jan 12 12:46 AUTHORS
-rw-rw-r--. 1 sagitter sagitter  18092 Jan 12 12:46 COPYING
-rw-rw-r--. 1 sagitter sagitter    387 Jan 12 12:46 __init___py
-rw-rw-r--. 1 sagitter sagitter  23630 Jan 12 12:46 libxdrfile2.i
-rw-rw-r--. 1 sagitter sagitter  17489 Jan 15 23:40 libxdrfile2.py
-rw-rw-r--. 1 sagitter sagitter 156988 Jan 12 12:46 libxdrfile2_wrap.c
-rw-rw-r--. 1 sagitter sagitter    359 Jan 12 12:46 NEWS
-rw-rw-r--. 1 sagitter sagitter  56208 Jan 12 12:46 numpy.i
-rw-rw-r--. 1 sagitter sagitter   1554 Jan 12 12:46 README
-rw-rw-r--. 1 sagitter sagitter   1899 Jan 12 12:46 setup_py
-rw-rw-r--. 1 sagitter sagitter  64192 Jan 12 12:46 xdrfile.c
-rw-rw-r--. 1 sagitter sagitter  23296 Jan 12 12:46 xdrfile.h
-rw-rw-r--. 1 sagitter sagitter  16943 Jan 12 12:46 xdrfile_trr.c
-rw-rw-r--. 1 sagitter sagitter   2333 Jan 12 12:46 xdrfile_trr.h
-rw-rw-r--. 1 sagitter sagitter   6400 Jan 12 12:46 xdrfile_xtc.c
-rw-rw-r--. 1 sagitter sagitter   2447 Jan 12 12:46 xdrfile_xtc.h
[sagitter@localhost MDAnalysis-0.13.0]$ cat
MDAnalysis/coordinates/xdrfile/src/README
libxdrfile2
=============

This library allows to read GROMACS trr and xtc files and also to
convert from one format to another. libxdrfile2 is a derivative of the
`libxdrfile library`_ written by the Gromacs developers. For MDAnalysis we
added Python bindings (generated with SWIG_). For libxdrfile2 we added
new indexing and seeking capabilities to the library.

.. _`libxdr library`: 
   http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library
.. _SWIG: 
   http://www.swig.org/


Licensing
=========

libxdrfile is provided by the Gromacs developers under the GNU Lesser
General Public License version 3.
While under development together with the MDAnalysis code, the library
was enhanced to provide xtc/trr frame indexing and seeking. This derivative
version of the library, named libxdrfile2, is now provided under the GNU
General Public License version 2. Read the AUTHORS and COPYING files
for details.


Python bindings
===============

Although the whole ``xdrfile`` package is distributed together with
`MDAnalysis <http://mdanalysis.googlecode.com>` it is also possible to
use it as a stand-alone library. Build the library from the src
directory::

  mv xdrfile/setup_py setup.py
  mv xdrfile/__init___py xdrfile/__init__.py 
  swig -python xdrfile/libxdrfile2.i   # or copy libxdrfile2.py to xdrfile/
  python setup.py build --build-lib=.

(This does an in-place build but you can also do a normal ``python
setup.py install``.)

Note that in order to import the module you will have to do:

  from xdrfile import libxdrfile2

************************************************************************

However, the derivated library on MDAnalysis is released under GPLv2.
Okay, no LGPL is necessary.

-- 
You are receiving this mail because:
You are on the CC list for the bug.
You are always notified about changes to this product and component
_______________________________________________
package-review mailing list
package-review@xxxxxxxxxxxxxxxxxxxxxxx
https://admin.fedoraproject.org/mailman/listinfo/package-review




[Index of Archives]     [Fedora Legacy]     [Fedora Desktop]     [Fedora SELinux]     [Yosemite News]     [KDE Users]     [Fedora Tools]