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Source: avogadro
Section: science
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>,
Anton Gladky <gladk@debian.org>
Build-Depends: cmake (>> 2.6.0),
debhelper (>> 7.0.50~),
libboost-python-dev,
libeigen3-dev (>> 3.3),
libgl2ps-dev,
libglew-dev,
libopenbabel-dev (>> 2.2.0),
libqt4-dev (>> 4.5.0),
libqt4-opengl-dev,
pkg-config,
python (>> 2.6.6-3~),
python-dev,
python-numpy (>> 1:1.4.1-4~),
python-sip-dev,
qt4-dev-tools,
zlib1g-dev
Standards-Version: 3.9.6
X-Python-Version: current
Homepage: http://avogadro.sourceforge.net/
Vcs-Browser: http://anonscm.debian.org/viewvc/debichem/unstable/avogadro/
Vcs-Svn: svn://anonscm.debian.org/debichem/unstable/avogadro/
Package: avogadro
Architecture: any
Depends: libavogadro1 (= ${binary:Version}), ${misc:Depends}, ${shlibs:Depends}
Recommends: avogadro-data (>= 1.0.0-2)
Description: Molecular Graphics and Modelling System
Avogadro is a molecular graphics and modelling system targeted 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}
Breaks: 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 targeted 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: any
Section: libs
Depends: ${misc:Depends}, ${shlibs:Depends}
Recommends: avogadro-data (>= 1.0.0-2), python-avogadro
Description: Molecular Graphics and Modelling System (library)
Avogadro is a molecular graphics and modelling system targeted 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: any
Section: libdevel
Priority: extra
Depends: libavogadro1 (= ${binary:Version}),
libeigen3-dev,
libglew-dev,
libopenbabel-dev (>= 2.2.0),
libqt4-dev (>= 4.4.0),
${misc:Depends}
Description: Molecular Graphics and Modelling System (development files)
Avogadro is a molecular graphics and modelling system targeted 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: any
Section: python
Priority: extra
XB-Python-Version: ${python:Versions}
Depends: python-numpy,
python-qt4,
python-sip,
${misc:Depends},
${python:Depends},
${shlibs:Depends},
${sip:Depends}
Replaces: libavogadro0 (<< 0.9.8)
Breaks: libavogadro0 (<< 0.9.8)
Provides: ${python:Provides}
Description: Molecular Graphics and Modelling System (Python module)
Avogadro is a molecular graphics and modelling system targeted 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.
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