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 (>= 7.0.0),
               libblas-dev,
               libboost-dev,
               libfftw3-dev,
               libgsl0-dev,
               liblapack-dev,
               libmpich-dev (>= 3.0.4-6),
               libopenmpi-dev (>= 1.2.4-5) [alpha amd64 arm64 armel armhf hurd-i386 i386 ia64 kfreebsd-amd64 kfreebsd-i386 mips mips64 mips64el mipsel powerpc powerpcspe ppc64 ppc64el sparc sparc64],
               libx11-dev,
               libxml2-dev,
               zlib1g-dev
Build-Depends-Indep: doxygen,
                     ghostscript,
                     graphviz,
                     imagemagick,
                     mscgen,
                     python-sphinx,
                     texlive-fonts-recommended,
                     texlive-latex-base,
                     texlive-latex-extra
Standards-Version: 3.9.6
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}), ${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: libgromacs1
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,
         libgromacs1 (= ${binary:Version}),
         ${misc:Depends},
         ${shlibs:Depends}
Recommends: gromacs-data
Suggests: gromacs-mpich (= ${binary:Version}) | gromacs-openmpi (= ${binary:Version}) [alpha amd64 arm64 armel armhf hurd-i386 i386 ia64 kfreebsd-amd64 kfreebsd-i386 mips mips64 mips64el mipsel powerpc powerpcspe ppc64 ppc64el sparc sparc64],
          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: alpha amd64 arm64 armel armhf hurd-i386 i386 ia64 kfreebsd-amd64 kfreebsd-i386 mips mips64 mips64el mipsel powerpc powerpcspe ppc64 ppc64el sparc sparc64
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.
