Update of /cvsroot/fink/dists/10.4/stable/main/finkinfo/sci
In directory fdv4jf1.ch3.sourceforge.com:/tmp/cvs-serv11525
Added Files:
gromacs-mpi.info
Log Message:
add gromacs-mpi to stable
--- NEW FILE: gromacs-mpi.info ---
Info2: <<
Package: gromacs-mpi-%type_pkg[handler]
Version: 4.0.5
Revision: 1001
Type: handler (lammpi openmpi)
Depends: gromacs (>= %v), %N-shlibs (= %v-%r), fftw3-shlibs, x11,
openmotif3-shlibs, (%type_pkg[handler] = lammpi) lammpi (>= 7.1.2-1000),
(%type_pkg[handler] = openmpi) openmpi
BuildDepends: fftw3, x11-dev, (%type_pkg[handler] = lammpi) lammpi-dev (>=
7.1.2-1000), (%type_pkg[handler] = openmpi) openmpi-dev, gromacs-dev (>= %v)
BuildConflicts: gromacs-mpi-dev, (%type_pkg[handler] = lammpi) openmpi-dev,
(%type_pkg[handler] = openmpi) lammpi-dev
Conflicts: gromacs-mpi, gromacs-mpi-lammpi, gromacs-mpi-openmpi
Replaces: gromacs-mpi, gromacs-mpi-lammpi, gromacs-mpi-openmpi
BuildDependsOnly: false
Source: mirror:custom:gromacs-%v.tar.gz
CustomMirror: <<
Primary: ftp://ftp.gromacs.org/pub/gromacs/
<<
Source-MD5: 2db2261852a4d3a97547979f379dee94
ConfigureParams: --enable-shared --prefix=%p --exec-prefix=%p --mandir=%p/share
--enable-mpi
DocFiles: AUTHORS COPYING README
SetCPPFLAGS: -I%p/include/%type_raw[handler]
SetLDFLAGS: -L%p/lib/%type_raw[handler]
CompileScript: <<
#!/bin/bash -ev
if [ `uname -p` = "powerpc" ]; then
./configure %c --enable-ppc-altivec --program-suffix=_mpi
else
./configure %c --build=%m-apple-darwin`uname -r|cut -f1 -d.`
--host=%m-apple-darwin`uname -r|cut -f1 -d.` --program-suffix=_mpi
fi
num_cpu=$(echo `sysctl -n hw.ncpu`)
make -j $num_cpu mdrun
<<
InstallScript: <<
#!/bin/bash -ev
make install-mdrun DESTDIR=%d
make clean
if [ `uname -p` = "powerpc" ]; then
./configure %c --enable-ppc-altivec --disable-float
--program-suffix="_mpi_d"
else
./configure %c --build=%m-apple-darwin`uname -r|cut -f1 -d.`
--host=%m-apple-darwin`uname -r|cut -f1 -d.` --disable-float
--program-suffix="_mpi_d"
fi
num_cpu=$(echo `sysctl -n hw.ncpu`)
make -j $num_cpu mdrun
make install-mdrun DESTDIR=%d
<<
SplitOff: <<
Package: %N-shlibs
Conflicts: gromacs-mpi-shlibs, gromacs-mpi-lammpi-shlibs,
gromacs-mpi-openmpi-shlibs
Replaces: gromacs-mpi-shlibs, gromacs-mpi-lammpi-shlibs,
gromacs-mpi-openmpi-shlibs
Depends: (%type_pkg[handler] = lammpi) lammpi (>= 7.1.2-1000),
(%type_pkg[handler] = openmpi) openmpi, fftw3-shlibs
Files: <<
lib/libgmx_mpi.5.0.0.dylib
lib/libgmx_mpi.5.dylib
lib/libmd_mpi.5.0.0.dylib
lib/libmd_mpi.5.dylib
lib/libgmx_mpi_d.5.0.0.dylib
lib/libgmx_mpi_d.5.dylib
lib/libmd_mpi_d.5.0.0.dylib
lib/libmd_mpi_d.5.dylib
<<
Shlibs: <<
%p/lib/libgmx_mpi.5.dylib 6.0.0 %n (>= 4.0-1000)
%p/lib/libmd_mpi.5.dylib 6.0.0 %n (>= 4.0-1000)
%p/lib/libgmx_mpi_d.5.dylib 6.0.0 %n (>= 4.0.5-1001)
%p/lib/libmd_mpi_d.5.dylib 6.0.0 %n (>= 4.0.5-1001)
<<
DocFiles: AUTHORS COPYING README
<<
SplitOff2: <<
Package: %N-dev
Conflicts: gromacs-mpi-dev, gromacs-mpi-lammpi-dev, gromacs-mpi-openmpi-dev
Replaces: gromacs-mpi-dev, gromacs-mpi-lammpi-dev, gromacs-mpi-openmpi-dev
Depends: %N-shlibs, fftw3-shlibs
Files: <<
lib/libgmx_mpi.dylib
lib/libmd_mpi.dylib
lib/libgmx_mpi.a
lib/libmd_mpi.a
lib/libgmx_mpi.la
lib/libmd_mpi.la
lib/libgmx_mpi_d.dylib
lib/libmd_mpi_d.dylib
lib/libgmx_mpi_d.a
lib/libmd_mpi_d.a
lib/libgmx_mpi_d.la
lib/libmd_mpi_d.la
<<
BuildDependsOnly: True
DocFiles: AUTHORS COPYING README
<<
Description: Molecular dynamics package (Parallel version)
DescDetail: <<
GROMACS is a versatile and extremely well optimized package
to perform molecular dynamics computer simulations and
subsequent trajectory analysis. It is developed for
biomolecules like proteins, but the extremely high
performance means it is used also in several other field
like polymer chemistry and solid state physics. This
version has parallel processing support for the main
GROMACS package.
<<
DescUsage: <<
Any package using gromacs-mpi-openmpi-dev or gromacs-mpi-lammpi-dev
should BuildDepends either openmpi-dev or lammpi-dev as well.
<<
Homepage: http://www.gromacs.org
License: GPL
Maintainer: Jack Howarth <howa...@bromo.med.uc.edu>
<<
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