[Blends-commit] r3949 - in /projects/debichem/trunk/debichem: debian/changelog tasks/crystallography tasks/visualisation

[mbanck at users.alioth.debian.org]

Author: mbanck
Date: Fri Jan 24 12:39:23 2014
New Revision: 3949

URL: http://svn.debian.org/wsvn/blends/?sc=1&rev=3949
Log:
  * tasks/crystallography: New task, including shelxle and xcrysden.
  * tasks/visualisation: Moved gcrystal to ...
  * tasks/crystallography: ... this.

  [ Daniel Leidert ]
  * tasks/crystallography: Added drawxtl.

Added:
    projects/debichem/trunk/debichem/tasks/crystallography
Modified:
    projects/debichem/trunk/debichem/debian/changelog
    projects/debichem/trunk/debichem/tasks/visualisation

Modified: projects/debichem/trunk/debichem/debian/changelog
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/debian/changelog?rev=3949&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/debian/changelog	(original)
+++ projects/debichem/trunk/debichem/debian/changelog	Fri Jan 24 12:39:23 2014
@@ -1,6 +1,12 @@
 debichem (0.0.4) UNRELEASED; urgency=low
 
   * tasks/abinitio: Added psi4.
+  * tasks/crystallography: New task, including shelxle and xcrysden.
+  * tasks/visualisation: Moved gcrystal to ...
+  * tasks/crystallography: ... this.
+
+  [ Daniel Leidert ]
+  * tasks/crystallography: Added drawxtl.
 
  -- Michael Banck <mbanck at debian.org>  Sun, 24 Feb 2013 17:52:23 +0100
 

Added: projects/debichem/trunk/debichem/tasks/crystallography
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/tasks/crystallography?rev=3949&op=file
==============================================================================
--- projects/debichem/trunk/debichem/tasks/crystallography	(added)
+++ projects/debichem/trunk/debichem/tasks/crystallography	Fri Jan 24 12:39:23 2014
@@ -0,0 +1,26 @@
+Task: Crystallography
+Description: DebiChem crystallography
+ This metapackage will install packages for crystallography which might be
+ useful for chemists.
+
+Depends: drawxtl
+
+Depends: gcrystal
+
+Depends: shelxle
+Published-Title: ShelXle: a Qt graphical user interface for SHELXL
+Published-Authors: C. B. Hübschle, G. M. Sheldrick and B. Dittrich
+Published-In: J. Appl. Cryst. 44:1281-1284
+Published-Year: 2011
+Published-URL: http://journals.iucr.org/j/issues/2011/06/00/kk5092/
+Published-DOI: 10.1107/S0021889811043202
+
+Depends: xcrysden
+Homepage: http://www.xcrysden.org
+License: GPL
+Language: C, Fortran, Tcl/Tk
+WNPP: 486545
+Responsible: Michael Banck <mbanck at debian.org>
+Pkg-Description: Visualization tool for crystalline structures
+ XCrySDen is a package for visualizing crystalline structures and
+ densities.

Modified: projects/debichem/trunk/debichem/tasks/visualisation
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/tasks/visualisation?rev=3949&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/tasks/visualisation	(original)
+++ projects/debichem/trunk/debichem/tasks/visualisation	Fri Jan 24 12:39:23 2014
@@ -17,8 +17,6 @@
 Depends: garlic
 
 Depends: gausssum
-
-Depends: gcrystal
 
 Depends: gdis