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
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