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ghemical 3.0.0-2
  • links: PTS, VCS
  • area: main
  • in suites: stretch
  • size: 5,776 kB
  • ctags: 1,659
  • sloc: cpp: 13,442; sh: 9,881; makefile: 184
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Source: ghemical
Section: gnome
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
Build-Depends: chrpath,
               debhelper (>= 10),
               flex,
               gfortran,
               intltool (>= 0.40.0),
               libblas-dev,
               libghemical-dev (>> 3.0.0),
               libglade2-dev (>> 2.4.0),
               libgtk2.0-dev (>> 2.6.0),
               libgtkglext1-dev (>> 1.0.5),
               liblapack-dev,
               libmopac7-dev (>> 1.14),
               liboglappth-dev (>> 1.0.0),
               libopenbabel-dev (>> 2.1.1),
               libsc-dev (>= 2.3.1-2),
               pkg-config
Standards-Version: 3.9.8
Homepage: http://bioinformatics.org/ghemical/ghemical/
Vcs-Browser: https://anonscm.debian.org/viewvc/debichem/unstable/ghemical/
Vcs-Svn: svn://anonscm.debian.org/debichem/unstable/ghemical/

Package: ghemical
Architecture: any
Depends: mpqc, ${misc:Depends}, ${shlibs:Depends}
Recommends: xfonts-100dpi | xfonts-75dpi | xfonts-100dpi-transcoded | xfonts-75dpi-transcoded
Description: GNOME molecular modelling environment
 Ghemical is a computational chemistry software package written in C++.
 It has a graphical user interface and it supports both quantum-
 mechanics (semi-empirical) models and molecular mechanics models.
 Geometry optimization, molecular dynamics and a large set of
 visualization tools using OpenGL are currently available.
 .
 Ghemical relies on external code to provide the quantum-mechanical
 calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come
 from the MOPAC7 package (Public Domain), and are included in the
 package. The MPQC package is used to provide ab initio methods: the
 methods based on Hartree-Fock theory are currently supported with
 basis sets ranging from STO-3G to 6-31G**.