Source: avogadro
Section: science
Priority: optional
Maintainer: Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
XSBC-Original-Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Jordan Mantha <laserjock@ubuntu.com>,
 Michael Banck <mbanck@debian.org>,
 Daniel Leidert (dale) <daniel.leidert@wgdd.de>
Build-Depends: cdbs (>= 0.4.50), debhelper (>= 5.0.38), cmake (>= 2.6.0),
 patchutils, pkg-config, libboost-python-dev, libeigen2-dev (>= 2.0~beta6),
 libglew1.5-dev, libqt4-dev (>= 4.5.0), qt4-dev-tools, zlib1g-dev,
 libqt4-opengl-dev, libopenbabel-dev (>= 2.2.0), python-dev, python-central,
 python-numpy, python-sip-dev
Standards-Version: 3.9.1
XS-Python-Version: current
Homepage: http://avogadro.sourceforge.net/
Vcs-Browser: http://svn.debian.org/wsvn/debichem/
Vcs-Svn: svn://svn.debian.org/svn/debichem/unstable/avogadro/
DM-Upload-Allowed: yes

Package: avogadro
Architecture: i386 amd64 powerpc 
Depends: ${shlibs:Depends}, ${misc:Depends}, libavogadro1 (= ${binary:Version})
Recommends: avogadro-data (>= 1.0.0-2)
Description: Molecular Graphics and Modelling System
 Avogadro is a molecular graphics and modelling system targetted at molecules
 and biomolecules.  It can visualize properties like molecular orbitals or
 electrostatic potentials and features an intuitive molecular builder.
 .
 Features include:
  * Molecular modeller with automatic force-field based geometry optimization 
  * Molecular Mechanics including constraints and conformer searches
  * Visualization of molecular orbitals and general isosurfaces
  * Visualization of vibrations and plotting of vibrational spectra
  * Support for crystallographic unit cells
  * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry 
    packages
  * Flexible plugin architecture and Python scripting
 .
 File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as
 Gaussian, GAMESS and MOLPRO output.

Package: avogadro-data
Architecture: all
Depends: ${misc:Depends}
Conflicts: avogadro (<< 1.0.0-2), libavogadro0 (<< 1.0.0-2)
Replaces: avogadro (<< 1.0.0-2), libavogadro0 (<< 1.0.0-2)
Description: Molecular Graphics and Modelling System (Data Files)
 Avogadro is a molecular graphics and modelling system targetted at molecules
 and biomolecules.  It can visualize properties like molecular orbitals or
 electrostatic potentials and features an intuitive molecular builder.
 .
 This package contains data files like molecular builder fragments or
 OpenGL shaders.

Package: libavogadro1
Conflicts: libavogadro0
Replaces: libavogadro0
Architecture: i386 amd64 powerpc 
Section: libs
Depends: ${shlibs:Depends}, ${misc:Depends}
Recommends: python-avogadro, avogadro-data (>= 1.0.0-2)
Description: Molecular Graphics and Modelling System (library)
 Avogadro is a molecular graphics and modelling system targetted at small
 to medium molecules.  It can visualize properties like molecular orbitals or
 electrostatic potentials and features an intuitive molecular builder.
 .
 This package provides the shared library.

Package: libavogadro-dev
Architecture: i386 amd64 powerpc 
Section: libdevel
Priority: extra
Depends: ${misc:Depends}, libavogadro1 (= ${binary:Version}), libqt4-dev (>= 4.4.0), libeigen2-dev (>= 2.0~beta6), libopenbabel-dev (>= 2.2.0)
Description: Molecular Graphics and Modelling System (development files)
 Avogadro is a molecular graphics and modelling system targetted at small
 to medium molecules.  It can visualize properties like molecular orbitals or
 electrostatic potentials and features an intuitive molecular builder.
 .
 This package provides the development and header files.

Package: python-avogadro
Architecture: i386 amd64 powerpc
Section: python
Priority: extra
Depends: ${misc:Depends}, ${python:Depends}, ${shlibs:Depends}, ${pyavo:Depends}, ${sip:Depends}
Replaces: libavogadro0 (<< 0.9.8)
Conflicts: libavogadro0 (<< 0.9.8)
Provides: ${python:Provides}
XB-Python-Version: ${python:Versions}
Description: Molecular Graphics and Modelling System (Python module)
 Avogadro is a molecular graphics and modelling system targetted at small
 to medium molecules.  It can visualize properties like molecular orbitals or
 electrostatic potentials and features an intuitive molecular builder.
 .
 This package provides the Python module.
