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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, libmpich2-dev, libopenmpi-dev (>= 1.2.4-5) [alpha amd64 armel armhf i386 ia64 powerpc powerpcspe sparc sparc64 kfreebsd-i386 kfreebsd-amd64 hurd-i386], lesstif2-dev, libx11-dev, zlib1g-dev, libgsl0-dev, gfortran [alpha], libxml2-dev, cmake, hardening-wrapper
Standards-Version: 3.9.3
Homepage: http://www.gromacs.org/
Vcs-Browser: http://svn.debian.org/wsvn/debichem/
Vcs-Svn: svn://svn.debian.org/svn/debichem/unstable/gromacs/
Package: gromacs
Architecture: any
Depends: gromacs-data (= ${source:Version}), ${shlibs:Depends}, ${misc:Depends}
Recommends: cpp
Breaks: radiance (<= 3R8+20070924.dfsg-1)
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], libmpich2-dev, lesstif2-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}, mpich2
Recommends: gromacs
Suggests: gromacs-data
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 (v2) 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 sparc sparc64 kfreebsd-i386 kfreebsd-amd64 hurd-i386
Depends: ${shlibs:Depends}, ${misc:Depends}, openmpi-bin (>= 1.2.3)
Recommends: gromacs
Replaces: gromacs-lam
Suggests: gromacs-data
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.
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