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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: cmake,
debhelper (>= 10),
libblas-dev,
libboost-dev,
libfftw3-dev,
liblapack-dev,
libmpich-dev (>= 3.0.4-6),
libopenmpi-dev (>= 1.10.2-7),
libtinyxml-dev,
libx11-dev,
openmpi-bin,
zlib1g-dev
Build-Depends-Indep: doxygen,
ghostscript,
graphviz,
imagemagick,
mscgen,
python-sphinx (>= 1.4),
rdfind,
symlinks,
texlive-fonts-recommended,
texlive-latex-base,
texlive-latex-extra
Standards-Version: 3.9.8
Homepage: http://www.gromacs.org/
Vcs-Browser: https://anonscm.debian.org/viewvc/debichem/
Vcs-Svn: svn://anonscm.debian.org/debichem/unstable/gromacs/
Package: gromacs
Architecture: any
Depends: gromacs-data (= ${source:Version}), ${misc:Depends}, ${shlibs: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.
Package: gromacs-data
Architecture: all
Depends: ${misc:Depends}
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: libgromacs2
Architecture: any
Section: libs
Depends: ${misc:Depends}, ${shlibs:Depends}
Breaks: gromacs (<< 5.1-1~)
Description: GROMACS molecular dynamics sim, shared libraries
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 the shared library, libgromacs.
Package: libgromacs-dev
Architecture: any
Section: libdevel
Depends: fftw3-dev,
libgromacs2 (= ${binary:Version}),
${misc:Depends},
${shlibs:Depends}
Recommends: gromacs-data
Suggests: gromacs-mpich (= ${binary:Version}) | gromacs-openmpi (= ${binary:Version}) [alpha amd64 arm64 armel armhf hppa hurd-i386 i386 ia64 kfreebsd-amd64 kfreebsd-i386 mips mips64 mips64el mipsel powerpc powerpcspe ppc64 ppc64el s390x sparc sparc64 x32],
libmpich-dev,
libx11-dev,
zlib1g-dev
Replaces: gromacs-dev (<< 5.1-1~)
Breaks: gromacs-dev (<< 5.1-1~)
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-dev
Architecture: any
Section: metapackages
Depends: libgromacs-dev, ${misc:Depends}
Description: Dummy package for libgromacs-dev
This is a metapackage to bring in the replacement package libgromacs-dev.
It can safely be removed after that installation.
Package: gromacs-mpich
Architecture: any
Depends: mpich, ${misc:Depends}, ${shlibs:Depends}
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: any
Depends: openmpi-bin (>= 1.2.3), ${misc:Depends}, ${shlibs:Depends}
Recommends: gromacs
Suggests: gromacs-data
Replaces: gromacs-dev (<< 4.6.3-3~), gromacs-lam
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.
|
