Update of /cvsroot/fink/dists/10.7/stable/main/finkinfo/sci
In directory sfp-cvs-1.v30.ch3.sourceforge.com:/tmp/cvs-serv11120
Added Files:
gromacs-mpi-10.9.info
Log Message:
use clang/clang++ on 10.9
--- NEW FILE: gromacs-mpi-10.9.info ---
Package: gromacs-mpi
Version: 4.6.1
Revision: 2
Depends: %N-shlibs (= %v-%r), fftw3-shlibs, gsl-shlibs, openmotif4-shlibs,
openmpi (>= 1.6.4-2), x11
BuildDepends: fftw3, gsl, openmpi (>= 1.6.4-2), openmotif4, x11-dev, cmake
BuildConflicts: gromacs-mpi-dev, gromacs-dev, gromacs (<= 4.6-1), gromacs-mpi
(<= 4.6-1)
Conflicts: gromacs, gromacs-mpi, gromacs-bin (<< 4.6-1), gromacs-mpi-bin (<<
4.6-1)
Replaces: gromacs, gromacs-mpi, gromacs-bin (<< 4.6-1), gromacs-mpi-bin (<<
4.6-1)
BuildDependsOnly: False
UseMaxBuildJobs: True
Distribution: 10.9
Source: mirror:custom:gromacs-%v.tar.gz
Source-MD5: a2a7952ec5566fe4b470285dbe5818e8
PatchFile: gromacs.patch
PatchFile-MD5: 4ea1ce7a4adf72f27bcb668cfb3a88a2
CustomMirror: <<
Primary: ftp://ftp.gromacs.org/pub/gromacs/
<<
DocFiles: AUTHORS COPYING README
InfoTest: <<
TestSuiteSize: medium
TestSource: http://gerrit.gromacs.org/download/regressiontests-%v.tar.gz
TestSource-MD5: 0b648a4fc431777d746bf78313d33bf5
TestScript: <<
#!/bin/sh -ev
mv ../regressiontests-%v regressiontests-%v
cd build
touch %b/INSTALL_MAKE_CHECK
<<
<<
PatchScript: <<
#!/bin/zsh -efv
%{default_script}
perl -pi.bak -e 's|512|4096|g' src/gmxlib/futil.c
perl -pi.bak -e 's|/bin/csh|/bin/csh -f|g' share/**/* 2>/dev/null
perl -pi.bak -e 's|/lib/cpp|/usr/bin/cpp|g' share/**/* 2>/dev/null
<<
CompileScript: <<
#!/bin/bash -efv
mkdir build
# Moved build to InstallScript to allow download of testsuite to be optional.
<<
InstallScript: <<
#!/bin/bash -efv
cd build
CMAKE_OPTIONS="-DGMX_X11="ON" -DGMX_MPI="ON" -DGMX_GSL="ON"
-DCMAKE_INSTALL_NAME_DIR=%p/lib -DCMAKE_INSTALL_PREFIX=%p"
if [ -f %b/INSTALL_MAKE_CHECK ]; then
CMAKE_OPTIONS="$CMAKE_OPTIONS -DREGRESSIONTEST_PATH=%b/regressiontests-%v"
fi
# no assembler support for AVX intrinsics until transition to clang
if [ "%m" == "x86_64" -o "%m" == "i386" ]; then
CMAKE_OPTIONS="$CMAKE_OPTIONS -DGMX_CPU_ACCELERATION:STRING=SSE4.1"
fi
cmake $CMAKE_OPTIONS ..
perl -pi.bak -e 's|-O3|-Ofast|g' CMakeCache.txt
make
if [ -f %b/INSTALL_MAKE_CHECK ]; then
export
DYLD_LIBRARY_PATH="%b/build/src/tools:%b/build/src/kernel:%b/build/src/gmxlib:%b/build/src/mdlib:/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A:%p/lib:%p/lib/gcc4.8/lib:/usr/lib"
make check
export -n DYLD_LIBRARY_PATH
fi
mkdir -p %i/include/%n
make install DESTDIR=%d
make clean
cmake -DGMX_DOUBLE="ON" $CMAKE_OPTIONS ..
make
if [ -f %b/INSTALL_MAKE_CHECK ]; then
export
DYLD_LIBRARY_PATH="%b/build/src/tools:%b/build/src/kernel:%b/build/src/gmxlib:%b/build/src/mdlib:/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A:%p/lib:%p/lib/gcc4.8/lib:/usr/lib"
make check
export -n DYLD_LIBRARY_PATH
fi
make install DESTDIR=%d
<<
SplitOff: <<
Package: %N-shlibs
Depends: fftw3-shlibs, gcc48-shlibs, gsl-shlibs, openmotif4-shlibs,
openmpi-shlibs (>= 1.6.4-2), x11
Files: <<
lib/libgmx_mpi.8*.dylib
lib/libgmxana_mpi.8*.dylib
lib/libmd_mpi.8*.dylib
lib/libgmxpreprocess_mpi.8*.dylib
lib/libgmx_mpi_d.8*.dylib
lib/libgmxana_mpi_d.8*.dylib
lib/libmd_mpi_d.8*.dylib
lib/libgmxpreprocess_mpi_d.8*.dylib
<<
Shlibs: <<
%p/lib/libgmx_mpi.8.dylib 8.0.0 %n (>= 4.6.1-1)
%p/lib/libgmxana_mpi.8.dylib 8.0.0 %n (>= 4.6.1-1)
%p/lib/libmd_mpi.8.dylib 8.0.0 %n (>= 4.6.1-1)
%p/lib/libgmxpreprocess_mpi.8.dylib 8.0.0 %n (>= 4.6.1-1)
%p/lib/libgmx_mpi_d.8.dylib 8.0.0 %n (>= 4.6.1-1)
%p/lib/libgmxana_mpi_d.8.dylib 8.0.0 %n (>= 4.6.1-1)
%p/lib/libmd_mpi_d.8.dylib 8.0.0 %n (>= 4.6.1-1)
%p/lib/libgmxpreprocess_mpi_d.8.dylib 8.0.0 %n (>= 4.6.1-1)
<<
DocFiles: AUTHORS COPYING README
<<
SplitOff2: <<
Package: %N-dev
Depends: %N-shlibs (= %v-%r)
Conflicts: gromacs (<= 4.6-1), gromacs-mpi (<= 4.6-1), gromacs-dev
Replaces: gromacs (<= 4.6-1), gromacs-mpi (<= 4.6-1), gromacs-dev
BuildDependsOnly: True
Files: <<
include
lib/pkgconfig
lib/libgmx_mpi.dylib
lib/libgmxana_mpi.dylib
lib/libmd_mpi.dylib
lib/libgmxpreprocess_mpi.dylib
lib/libgmx_mpi_d.dylib
lib/libgmxana_mpi_d.dylib
lib/libmd_mpi_d.dylib
lib/libgmxpreprocess_mpi_d.dylib
<<
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-dev should BuildDepends on
openmpi-dev as well.
<<
DescPackaging: <<
Shared libraries created by cmake set the compatibility version explicitly to
major.minor.patch which is equally correct as libtool's use of major+1.
<<
Homepage: http://www.gromacs.org
License: GPL
Maintainer: Jack Howarth <howa...@bromo.med.uc.edu>
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