[Blends-commit] r3696 - in /projects/debichem/trunk/debichem: debian/changelog tasks/cheminformatics tasks/molmech tasks/visualisation

[mbanck at users.alioth.debian.org]

Author: mbanck
Date: Fri Feb 22 17:50:25 2013
New Revision: 3696

URL: http://svn.debian.org/wsvn/blends/?sc=1&rev=3696
Log:
* tasks/cheminformatics: Added python-fmcs, python-chemfp and libopsin-java.
* tasks/visualization: Added gamgi.
* tasks/molmech, tasks/visualization, tasks/cheminformatics: Removed some
  citation data which is already present in the respective debian/upstream
  files.

Modified:
    projects/debichem/trunk/debichem/debian/changelog
    projects/debichem/trunk/debichem/tasks/cheminformatics
    projects/debichem/trunk/debichem/tasks/molmech
    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=3696&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/debian/changelog (original)
+++ projects/debichem/trunk/debichem/debian/changelog Fri Feb 22 17:50:25 2013
@@ -6,6 +6,11 @@
   * tasks/semiempirical: Added cp2k.
   * tasks/cheminformatics: Added python-indigo.
   * tasks/visualization: Added shelxle, xcrysden and drawxtl.
+  * tasks/cheminformatics: Added python-fmcs, python-chemfp and libopsin-java.
+  * tasks/visualization: Added gamgi.
+  * tasks/molmech, tasks/visualization, tasks/cheminformatics: Removed some
+    citation data which is already present in the respective debian/upstream
+    files.
 
   [ Daniel Leidert ]
   * debian/control.stub (Standards-Version): Bumped to 3.9.3.

Modified: projects/debichem/trunk/debichem/tasks/cheminformatics
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/tasks/cheminformatics?rev=3696&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/tasks/cheminformatics (original)
+++ projects/debichem/trunk/debichem/tasks/cheminformatics Fri Feb 22 17:50:25 2013
@@ -4,20 +4,8 @@
  useful for chemists.
 
 Depends: openbabel
-Published-Title: Open Babel: An open chemical toolbox
-Published-Authors: N. M. O'Boyle, M. Banck, C. A. James, C. Morley, T. Vandermeersch, and G. R. Hutchison
-Published-In: J. Cheminf. 3:33
-Published-Year: 2011
-Published-URL: http://www.jcheminf.com/content/3/1/33
-Published-DOI: 10.1186/1758-2946-3-33
 
 Depends: python-openbabel
-Published-Title: Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
-Published-Authors: N. M. O'Boyle, C. Morley and G. R. Hutchison
-Published-In: Chem. Cent. J. 2:5
-Published-Year: 2008
-Published-URL: http://journal.chemistrycentral.com/content/2/1/5
-Published-DOI: 10.1186/1752-153X-2-5
 
 Depends: libcdk-java
 Published-Title: The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
@@ -33,3 +21,9 @@
 
 Depends: python-cinfony
 Published-In: Chem. Cent. J. 2:24
+
+Depends: python-fmcs
+
+Depends: python-chemfp
+
+Depends: libopsin-java

Modified: projects/debichem/trunk/debichem/tasks/molmech
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/tasks/molmech?rev=3696&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/tasks/molmech (original)
+++ projects/debichem/trunk/debichem/tasks/molmech Fri Feb 22 17:50:25 2013
@@ -16,14 +16,6 @@
 Depends: ghemical
 
 Depends: gromacs
-Published-Title: GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
-Published-Authors: B. Hess, C. Kutzner, D. van der Spoel and E. Lindahl
-Published-In: J. Chem. Theory Comput. 4(3):435-447
-Published-Year: 2008
-Published-URL: http://pubs.acs.org/doi/abs/10.1021/ct700301q
-Published-DOI: 10.1021/ct700301q
-X-Published-Other: Lindahl E, Hess B, van der Spoel D. GROMACS 3.0: A Package for Molecular Simulation and Trajectory Analysis. J. Mol. Model. 2001;7(8):306.17
-X-Published-Other: Van der Spoel D, Lindahl E, Hess B, Groenhof G, Mark AE, Berendsen HJ. GROMACS: Fast, Flexible, and Free. J Comput. Chem. 2005;26(16):1701.18
 
 Depends: vmd
 License: non-free

Modified: projects/debichem/trunk/debichem/tasks/visualisation
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/tasks/visualisation?rev=3696&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/tasks/visualisation (original)
+++ projects/debichem/trunk/debichem/tasks/visualisation Fri Feb 22 17:50:25 2013
@@ -13,10 +13,6 @@
 Published-In: J. Comput. Chem. 29(5):839-845
 
 Depends: gabedit
-Published-Title: Gabedit - A graphical user interface for computational chemistry softwares
-Published-Authors: A.-R. Allouche
-Published-In: J. Comput. Chem. 32(1):174-182
-Published-URL: http://onlinelibrary.wiley.com/doi/10.1002/jcc.21600/abstract
 
 Depends: garlic