pkg://mpqc_2.3.1-3_mips.deb:378910/control  downloads

Package: mpqc
Version: 2.3.1-3
Architecture: mips
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 2288
Depends: libblas3gf | libblas.so.3gf | libatlas3gf-base, libc6 (>= 2.7-1), libgcc1 (>= 1:4.1.1-21), libgfortran3, liblapack3gf | liblapack.so.3gf | libatlas3gf-base, libsc7, libstdc++6 (>= 4.2.1-4)
Suggests: mpqc-support
Section: science
Priority: optional
Homepage: http://www.mpqc.org
Description: The Massively Parallel Quantum Chemistry Program
 MPQC computes the properties of molecules through ab-initio methods.  It can
 compute closed shell and general restricted open shell Hartree-Fock energies
 and gradients, density functional theory energies and gradients, second order
 open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory
 (ZAPT2) energies, and second order closed shell Moeller-Plesset perturbation
 theory energies and gradients.  It also includes an internal coordinate
 geometry optimizer.
 .
 MPQC is build upon the Scientific Computing Toolkit (SC).