Source: gromacs
Section: science
Priority: extra
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Nicholas Breen <nbreen@debian.org>
Build-Depends: debhelper (>= 7.0.0), libfftw3-dev, libmpich-dev (>= 3), libopenmpi-dev (>= 1.2.4-5) [alpha amd64 armel armhf i386 ia64 powerpc powerpcspe ppc64 sparc sparc64 kfreebsd-i386 kfreebsd-amd64 hurd-i386], libx11-dev, zlib1g-dev, libgsl0-dev, libxml2-dev, libblas-dev, liblapack-dev, cmake, hardening-wrapper, chrpath
Standards-Version: 3.9.5
Homepage: http://www.gromacs.org/
Vcs-Browser: http://anonscm.debian.org/viewvc/debichem/
Vcs-Svn: svn://anonscm.debian.org/debichem/unstable/gromacs/

Package: gromacs
Architecture: any
Depends: gromacs-data (= ${source:Version}), ${shlibs:Depends}, ${misc:Depends}
Recommends: cpp
Suggests: pymol
Description: Molecular dynamics simulator, with building and analysis tools
 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
 the Newtonian equations of motion for systems with hundreds to millions of
 particles.
 .
 It is primarily designed for biochemical molecules like proteins and lipids
 that have a lot of complicated bonded interactions, but since GROMACS is
 extremely fast at calculating the nonbonded interactions (that usually
 dominate simulations) many groups are also using it for research on non-
 biological systems, e.g. polymers.
 .
 GROMACS offers entirely too many features for a brief description to do it
 justice.  A more complete listing is available at
 <http://www.gromacs.org/content/view/12/176/>.

Package: gromacs-data
Architecture: all
Recommends: gromacs
Suggests: tcsh | c-shell
Conflicts: gromacs-doc
Breaks: gromacs (<< 3.3.3-1)
Replaces: gromacs-doc
Description: GROMACS molecular dynamics sim, data and documentation
 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
 the Newtonian equations of motion for systems with hundreds to millions of
 particles.
 .
 It is primarily designed for biochemical molecules like proteins and lipids
 that have a lot of complicated bonded interactions, but since GROMACS is
 extremely fast at calculating the nonbonded interactions (that usually
 dominate simulations) many groups are also using it for research on non-
 biological systems, e.g. polymers.
 .
 This package contains architecture-independent topology and force field
 data, documentation, man pages, and example files.

Package: gromacs-dev
Architecture: any
Section: devel
Depends: ${shlibs:Depends}, gromacs (= ${binary:Version}), fftw3-dev, ${misc:Depends}
Recommends: gromacs-data
Suggests: gromacs-mpich (= ${binary:Version}) | gromacs-openmpi (= ${binary:Version}) [alpha amd64 armel armhf i386 ia64 powerpc powerpcspe sparc sparc64 kfreebsd-i386 kfreebsd-amd64 hurd-i386], libmpich-dev, libx11-dev, zlib1g-dev
Description: GROMACS molecular dynamics sim, development kit
 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
 the Newtonian equations of motion for systems with hundreds to millions of
 particles.
 .
 It is primarily designed for biochemical molecules like proteins and lipids
 that have a lot of complicated bonded interactions, but since GROMACS is
 extremely fast at calculating the nonbonded interactions (that usually
 dominate simulations) many groups are also using it for research on non-
 biological systems, e.g. polymers.
 .
 This package contains header files and static libraries for development
 purposes, plus sample Makefiles.  Development components for MPI-enabled
 GROMACS builds also require their respective packages.

Package: gromacs-mpich
Architecture: any
Depends: ${shlibs:Depends}, ${misc:Depends}, mpich
Recommends: gromacs
Suggests: gromacs-data
Replaces: gromacs-dev (<< 4.6.3-3~)
Breaks: gromacs-dev (<< 4.6.3-3~)
Description: Molecular dynamics sim, binaries for MPICH parallelization
 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
 the Newtonian equations of motion for systems with hundreds to millions of
 particles.
 .
 It is primarily designed for biochemical molecules like proteins and lipids
 that have a lot of complicated bonded interactions, but since GROMACS is
 extremely fast at calculating the nonbonded interactions (that usually
 dominate simulations) many groups are also using it for research on non-
 biological systems, e.g. polymers.
 .
 This package contains only the core simulation engine with parallel
 support using the MPICH (v3) interface.  It is suitable for nodes of a
 processing cluster, or for multiprocessor machines.

Package: gromacs-openmpi
Architecture: alpha amd64 armel armhf i386 ia64 powerpc powerpcspe ppc64 sparc sparc64 kfreebsd-i386 kfreebsd-amd64 hurd-i386
Depends: ${shlibs:Depends}, ${misc:Depends}, openmpi-bin (>= 1.2.3)
Recommends: gromacs
Suggests: gromacs-data
Replaces: gromacs-lam, gromacs-dev (<< 4.6.3-3~)
Breaks: gromacs-dev (<< 4.6.3-3~)
Description: Molecular dynamics sim, binaries for OpenMPI parallelization
 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
 the Newtonian equations of motion for systems with hundreds to millions of
 particles.
 .
 It is primarily designed for biochemical molecules like proteins and lipids
 that have a lot of complicated bonded interactions, but since GROMACS is
 extremely fast at calculating the nonbonded interactions (that usually
 dominate simulations) many groups are also using it for research on non-
 biological systems, e.g. polymers.
 .
 This package contains only the core simulation engine with parallel
 support using the OpenMPI interface.  It is suitable for nodes of a
 processing cluster, or for multiprocessor machines.
