Source: nwchem
Section: science
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
Build-Depends: debhelper (>= 7.0.50~), gfortran, csh, texlive-latex-base
Standards-Version: 3.9.1
Homepage: http://www.nwchem-sw.org
#Vcs-Git: git://git.debian.org/collab-maint/nwchem.git
#Vcs-Browser: http://git.debian.org/?p=collab-maint/nwchem.git;a=summary

Package: nwchem
Architecture: any
Depends: ${shlibs:Depends}, ${misc:Depends}, nwchem-data (= ${source:Version})
Description: High-performance computational chemistry software
 NWChem aims to provide its users with computational chemistry tools that are
 scalable both in their ability to treat large scientific computational
 chemistry problems efficiently, and in their use of available parallel
 computing resources from high-performance parallel supercomputers to
 conventional workstation clusters.  NWChem software can handle 
 .
  * Biomolecules, nanostructures, and solid-state 
  * From quantum to classical, and all combinations
  * Gaussian basis functions or plane-waves
  * Scaling from one to thousands of processors
  * Properties and relativity

Package: nwchem-data
Architecture: all
Depends: ${shlibs:Depends}, ${misc:Depends}
Description: High-performance computational chemistry software
 NWChem aims to provide its users with computational chemistry tools that are
 scalable both in their ability to treat large scientific computational
 chemistry problems efficiently, and in their use of available parallel
 computing resources from high-performance parallel supercomputers to
 conventional workstation clusters.  
 .
 This package contains the basis sets, pseudo-potentials and AMBER/CHARMM 
 parameter files.
