[Blends-commit] r3979 - in /projects/debichem/trunk/debichem/tasks: abinitio molmech visualisation

[tille at users.alioth.debian.org]

Author: tille
Date: Thu Feb 13 14:54:54 2014
New Revision: 3979

URL: http://svn.debian.org/wsvn/blends/?sc=1&rev=3979
Log:
Please do *not* use deprecated Publication-* fields any more!  I will care for fetching machine readable files from pkg-java as well to also get publication data for libcdk-java

Modified:
    projects/debichem/trunk/debichem/tasks/abinitio
    projects/debichem/trunk/debichem/tasks/molmech
    projects/debichem/trunk/debichem/tasks/visualisation

Modified: projects/debichem/trunk/debichem/tasks/abinitio
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/tasks/abinitio?rev=3979&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/tasks/abinitio	(original)
+++ projects/debichem/trunk/debichem/tasks/abinitio	Thu Feb 13 14:54:54 2014
@@ -9,42 +9,18 @@
 Published-URL: http://www.mpqc.org
 
 Depends: psi3
-Published-Title: PSI3: an open-source Ab Initio electronic structure package
-Published-Authors: T. Daniel Crawford, C. David Sherrill, Edward F. Valeev, Justin T. Fermann, Rollin A. King, Matthew L. Leininger, Shawn T. Brown, Curtis L. Janssen, Edward T. Seidl, Joseph P. Kenny and Wesley D. Allen
-Published-In: J. Comput. Chem. 28(9):1610-1616
-Published-Year: 2007
-Published-URL: http://onlinelibrary.wiley.com/doi/10.1002/jcc.20573/abstract
-Published-DOI: 10.1002/jcc.20573
 
 Depends: abinit
 
 Depends: openmx
 
 Depends: nwchem
-Published-Title: NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations
-Published-Authors: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus and W.A. de Jong
-Published-In: Comput. Phys. Commun. 181(9):1477-1489
-Published-Year: 2010
-Published-URL: http://www.sciencedirect.com/science/article/pii/S0010465510001438
-Published-DOI: 10.1016/j.cpc.2010.04.018
 
 Depends: aces3
-Published-Title: Parallel Implementation of Electronic Structure Energy, Gradient and Hessian Calculations
-Published-Authors: V. Lotrich, N. Flocke, M. Ponton, A. Yau, A. Perera, E. Deumens and R. J. Bartlett
-Published-In: J. Chem. Phys. 128:194104
-Published-Year: 2008
-Published-URL: http://jcp.aip.org/resource/1/jcpsa6/v128/i19/p194104_s1
-Published-DOI: 10.1063/1.2920482 
 Registration: http://www.qtp.ufl.edu/ACES/register.html
 
 Depends: cp2k
 
 Depends: quantum-espresso
-Published-Title: QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
-Published-Authors: P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari and R. M. Wentzcovitch
-Published-In: J. Phys. Condens. Matter 21:395502
-Published-Year: 2009
-Published-URL: http://iopscience.iop.org/0953-8984/21/39/395502
-Published-DOI: 10.1088/0953-8984/21/39/395502
 
 Depends: psi4

Modified: projects/debichem/trunk/debichem/tasks/molmech
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/tasks/molmech?rev=3979&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/tasks/molmech	(original)
+++ projects/debichem/trunk/debichem/tasks/molmech	Thu Feb 13 14:54:54 2014
@@ -4,12 +4,6 @@
  which might be useful for chemists.
 
 Depends: adun.app
-Published-Title: Framework Based Design of a New All-Purpose Molecular Simulation Application: The Adun Simulator
-Published-Authors: M.A. Johnston, I.F. Galván and J. VillÃ| -Freixa
-Published-In: J. Comput. Chem. 26(15):1647-1659
-Published-Year: 2005
-Published-URL: http://www3.interscience.wiley.com/cgi-bin/abstract/112094040/ABSTRACT
-Published-DOI: 10.1002/jcc.20312
 
 Depends: avogadro
 

Modified: projects/debichem/trunk/debichem/tasks/visualisation
URL: http://svn.debian.org/wsvn/blends/projects/debichem/trunk/debichem/tasks/visualisation?rev=3979&op=diff
==============================================================================
--- projects/debichem/trunk/debichem/tasks/visualisation	(original)
+++ projects/debichem/trunk/debichem/tasks/visualisation	Thu Feb 13 14:54:54 2014
@@ -8,9 +8,6 @@
 Depends: avogadro
 
 Depends: cclib
-Published-Title: cclib: a library for package-independent computational chemistry algorithms
-Published-Authors: N. M. O'Boyle, A. L. Tenderholt, K. M. Langner
-Published-In: J. Comput. Chem. 29(5):839-845
 
 Depends: gabedit