Task: Ab Initio Calculations
Description: DebiChem Ab Initio Calculations
 This metapackage will install packages doing ab initio calculations which
 might be useful for chemists.

Depends: mpqc
Published-Title: http://www.mpqc.org
Published-Authors: The Massively Parallel Quantum Chemistry Program (MPQC), Version 3.0.0 Prerelease, C. L. Janssen, I. B. Nielsen, M. L. Leininger, E. F. Valeev, J. P. Kenny, E. T. Seidl
Published-URL: http://www.mpqc.org

Depends: psi3

Depends: abinit

Depends: openmx

Depends: nwchem

Depends: aces3
Registration: http://www.qtp.ufl.edu/ACES/register.html

Depends: cp2k

Depends: quantum-espresso

Depends: psi4

Depends: elk-lapw

Depends: ergo
