Source:molecuilder
Section: science
Priority: optional
Maintainer: Frederik Heber <heber@ins.uni-bonn.de>
Build-Depends: debhelper (>=9), cdbs, autoconf, automake1.11, pkg-config, 
 gfortran, libgpg-error0, libboost-filesystem-dev (>=1.46),
 libboost-graph-dev (>=1.46), libboost-iostreams-dev (>=1.46),
 libboost-program-options-dev (>=1.46), libboost-python-dev (>=1.46),
 libboost-serialization-dev (>=1.46), libboost-system-dev (>=1.46),
 libboost-thread-dev (>=1.46), python2.7, libgsl0-dev,
 codepatterns (>=1.3.0), levmar (>=2.6), units
Build-Conflicts: autoconf2.13, automake1.4
Standards-Version: 3.9.3
Homepage: https://www.molecuilder.de/

Package: molecuilder
Architecture: any
Depends: ${shlibs:Depends}, ${misc:Depends}
Suggests: mpqc, psi3
Description: creates, alters and prepares molecular systems for simulations
 MoleCuilder is a tool for preparing molecular systems for molecular
 dynamics simulations. You add, modify, and manipulate atoms and molecules.
 Empirical potentials parametrizations can be calculated via an efficient
 fragmentation scheme from ab-initio calculations.