[Blends-commit] r1427 - projects/science/trunk/debian-science/tasks

[Debian Pure Blends Subversion Commit]

Author: cjw1006-guest
Date: Mon Mar  9 21:49:04 2009
New Revision: 1427
URL: http://svn.debian.org/viewsvn/blends?rev=1427&view=rev

Log:
Chemistry: Add cp2k ITP (and also add WNPP bug to the physics task)

Modified:
   projects/science/trunk/debian-science/tasks/chemistry
   projects/science/trunk/debian-science/tasks/physics

Modified: projects/science/trunk/debian-science/tasks/chemistry
URL: http://svn.debian.org/viewsvn/blends/projects/science/trunk/debian-science/tasks/chemistry?rev=1427&view=diff&r1=1427&r2=1426&p1=projects/science/trunk/debian-science/tasks/chemistry&p2=projects/science/trunk/debian-science/tasks/chemistry
==============================================================================
--- projects/science/trunk/debian-science/tasks/chemistry	(original)
+++ projects/science/trunk/debian-science/tasks/chemistry	Mon Mar  9 21:49:04 2009
@@ -217,3 +217,16 @@
     program for nano-composites
  This program needs the VCG library http://vcg.sourceforge.net which has
  to be packaged first.
+
+Depends: cp2k
+Homepage: http://cp2k.berlios.de/
+WNPP: 518984
+License: GPL
+Responsible: Debichem Project <debichem-devel at lists.alioth.debian.org>
+Pkg-Description: CP2K is a program to perform atomistic and molecular
+ simulations of solid state, liquid, molecular and biological
+ systems. It provides a general framework for different methods such as
+ e.g. density functional theory (DFT) using a mixed Gaussian and plane
+ waves approach (GPW), and classical pair and many-body potentials.
+
+

Modified: projects/science/trunk/debian-science/tasks/physics
URL: http://svn.debian.org/viewsvn/blends/projects/science/trunk/debian-science/tasks/physics?rev=1427&view=diff&r1=1427&r2=1426&p1=projects/science/trunk/debian-science/tasks/physics&p2=projects/science/trunk/debian-science/tasks/physics
==============================================================================
--- projects/science/trunk/debian-science/tasks/physics	(original)
+++ projects/science/trunk/debian-science/tasks/physics	Mon Mar  9 21:49:04 2009
@@ -228,17 +228,19 @@
 
 Depends: cp2k
 Homepage: http://cp2k.berlios.de/
-License: GPL 
-Pkg-Description: Electronic structure calculations 
- Perform atomistic and molecular simulations of solid state, liquid, molecular
- and biological systems. It provides a general framework for different methods
- such as e.g. density functional theory (DFT) using a mixed Gaussian and plane
+License: GPL
+WNPP: 518984 
+Pkg-Description: CP2K is a program to perform atomistic and molecular
+ simulations of solid state, liquid, molecular and biological
+ systems. It provides a general framework for different methods such as
+ e.g. density functional theory (DFT) using a mixed Gaussian and plane
  waves approach (GPW), and classical pair and many-body potentials.
 
 Depends: pymca
 Homepage: http://pymca.sourceforge.net/
 License: GPL-2+
 WNPP:  514903
+Vcs-Git: git://git.debian.org/?p=debian-science/packages/pymca.git 
 Responsible: Teemu Ikonen <tpikonen at gmail.com>
 Pkg-Description:  Python toolkit and application for X-ray fluorescence analysis
  PyMCA is an application and Python toolkit for analysis of X-ray