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configure
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configure
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#!/bin/bash
# CPPTRAJ standalone configure script.
# Daniel R. Roe
# 2010-11-18
# Rewritten 2018-01-25 (getting old...)
# Support for getting and building external libraries (get_library.sh) added 2021-03-03
# This script will determine compiler and linker flags based on
# desired user-specified options. Generates config.h, which is
# used by src/Makefile.
#-------------------------------------------------------------------------------
# Print simple help message
UsageSimple() {
echo "Usage: ./configure <OPTIONS> [gnu | intel | pgi | clang | cray | oneapi]"
echo " OPTIONS:"
echo " --help : Display this message."
echo " --prefix <dir> : Install CPPTRAJ to specified directory (default is this directory)."
echo " -openmp : Use OpenMP for parallelization of certain routines."
echo " -mpi : Use mpicc/mpicxx to compile."
echo " -intelmpi : Use mpiicc/mpiicpc to compile."
echo " -cuda : Enable CUDA support. See SHADER_MODEL in --full-help for more info."
echo " -hip : Enable HIP support."
echo " -cray : Use cray compiler wrappers (cc/CC/ftn)."
echo " -amberlib : Use BLAS/ARPACK/LAPACK/NetCDF libraries from \$AMBERHOME"
echo " -cmake : Use cmake; 'configure' must be executed in a separate directory."
echo " --full-help : Display additional options."
echo ""
}
#-------------------------------------------------------------------------------
# Print more detailed options
UsageFull() {
UsageSimple
echo " ADDITIONAL OPTIONS"
echo " -debug : Turn on compiler debugging info."
echo " -noopt : Do not use optimized compiler flags."
echo " -tune : Enable host-specific compiler optimizations."
echo " -noc++11 : Disable C++11 support."
echo " -d : Turn on compiler debug info and disable optimization (i.e. -debug -noopt)."
echo " -timer : Enable additional timing info."
echo " -debugon : Add -DDEBUG flag to activate additional internal debugging."
echo " -nolfs : Do not enable large file support."
echo " -shared : Configure for generating libcpptraj (implies -nosanderlib)."
echo " -fftw3 : Use FFTW instead of pubfft for FFT."
echo " -windows : Set up for use with MinGW compilers for a native Windows build."
echo " LIBRARY OPTIONS"
echo " -<lib> : Enable library."
echo " --with-<lib>=<DIR> : Use library in specified directory."
echo " -l<lib>=<FILE> : Use specified library file."
echo " -no<lib> : Disable library."
echo " --buildlibs : Attempt to build enabled libraries if they are not present."
echo " --nobuildlibs : Do not asking about building enabled libraries."
echo " -makenetcdf : Have cpptraj build its own NetCDF."
echo " -makeblas : Have cpptraj build its own LAPACK/BLAS."
echo " Libraries: netcdf pnetcdf zlib bzlib blas lapack arpack fftw3 readline sanderlib xdrfile tng openmm"
echo " Note: pnetcdf is needed for writing NetCDF trajectories with MPI."
echo " LINKING OPTIONS"
echo " -static : Use static linking."
echo " -libstatic : Use static linking only for specified libraries."
echo " -mkl : Use Intel MKL for BLAS/LAPACK (requires MKL_HOME/MKLROOT set)."
echo " -nomklfftw : Prevent use of FFTW from MKL."
echo " -openblas : Use OpenBLAS for BLAS/LAPACK (may require '--with-blas' or '-lblas')."
echo " May also want to specify '-larpack' if included in OpenBLAS."
echo " -macAccelerate : Use Accelerate framework for BLAS/LAPACK."
echo " -libsci : Use Cray LibSci for BLAS/LAPACK."
echo " ENVIRONMENT VARIABLES (can also be passed to configure as <VAR>=<VALUE>):"
echo " CXX : Name of the C++ compiler."
echo " CC : Name of the C compiler."
echo " FC : Name of the Fortran compiler."
echo " MPICXX : Name of MPI C++ compiler."
echo " MPICC : Name of MPI C compiler."
echo " MPIF90 : Name of MPI Fortran compiler."
echo " CXXFLAGS : Flags to pass to the C++ compiler."
echo " CFLAGS : Flags to pass to the C compiler."
echo " FFLAGS : Flags to pass to the Fortran compiler."
echo " LDFLAGS : Flags to pass to the linker."
echo " TUNEFLAGS : Host-specific tuning flags. Will override '-tune'."
echo " NVCC : Name of the nvcc/hipcc compiler."
echo " NVCCFLAGS : Flags to pass to the nvcc/hipcc compiler."
echo " DBGFLAGS : Any additional flags to pass to all compilers."
echo " CUDA_HOME : (-cuda) Path to CUDA installation."
echo " HIP_HOME : (-hip) Path to ROCm installation (default is '/opt/rocm')."
echo " SHADER_MODEL : (-cuda) Should be set to 'sm_XX', where XX is CUDA compute architecture."
echo " sm_86 = GA102, 104, 106, 107"
echo " sm_80 = GA100"
echo " sm_75 = Turing"
echo " sm_72 = GV10B"
echo " sm_70 = GV100"
echo " sm_62 = GP10B"
echo " sm_61 = GP106 = GTX-1070, GP104 = GTX-1080, GP102 = Titan-X[P]"
echo " sm_60 = GP100 / P100 = DGX-1"
echo " sm_53 = GM200 [Grid] = M60, M40?"
echo " sm_52 = GM200 = GTX-Titan-X, M6000 etc."
echo " sm_50 = GM204 = GTX980, 970 etc"
echo " sm_37 = GK210 = K80"
echo " sm_35 = GK110 = K20[x], K40, GTX780, GTX-Titan, GTX-Titan-Black, GTX-Titan-Z"
echo " sm_30 = GK104 = K10, GTX680, 690 etc."
echo " sm_20 = All GF variants = C2050, 2075, M2090, GTX480, GTX580 etc."
echo " EXPERIMENTAL OPTIONS:"
echo " --compile-verbose : Turn on compile details."
echo " -profile : Use Gnu compiler profiling (>= V4.5)*"
echo " -gprofile : Use Gnu compiler GLIBC profiling (>= V4.5)*"
echo " -vtune : Enable options for use with Intel Vtune."
echo " -single-ensemble : Enable support for reading/writing single ensemble trajectories."
echo ""
echo "*NOTE: -profile and -gprofile are mutually exclusive."
echo ""
}
# ----- Script variables -------------------------------------------------------
WORKDIR=`dirname $0` # Working directory of the configure script
CURRENTDIR=`pwd` # Directory configure is being executed in
COMPILERS='' # User-specified compiler suite to use.
FLINK='' # Flag for linking in Fortran code
REQUIRES_FLINK=0 # If 1 FLINK flag required during link phase
REQUIRES_PTHREAD=0 # If 1 -lpthread required during link phase
C11FLAG='' # Flag for compiling C++11 code
C11_SUPPORT='yes' # Support C++11 code
SHARED_SUFFIX='' # Suffix for shared libraries
DBFLAG='' # Flag for turning on compiler debug symbols
DIRECTIVES='' # Common compiler directives
CPPTRAJ_INC='' # Library header include line
SFX='' # Binary suffix
EXE='' # Binary executable suffix
REBUILDOPT='' # Can be set to --rebuild and passed to get_library.sh
BUILDTESTOPT='silent' # Set to blank to avoid asking about building libraries
INSTALL_DAT='install_dat' # Target for installing data directory
#CPPTRAJSRC='' # CPPTRAJ source directory
COMPERR='cpptrajcfg.compile.err'
COMPOUT='cpptrajcfg.compile.out'
# ----- Variables for downloading libraries ------
NETCDF_SRCTAR='v4.9.2.tar.gz'
NETCDF_SRCDIR='netcdf-c-4.9.2'
NETCDF_URL="https://github.com/Unidata/netcdf-c/archive/refs/tags/$NETCDF_SRCTAR"
NETCDF_OPTS=" --disable-byterange --disable-libxml2 --disable-netcdf-4 --disable-dap $windows_hostflag --disable-shared --disable-doxygen"
NETCDF4_OPTS=" --disable-byterange --disable-libxml2 --disable-dap $windows_hostflag --disable-shared --disable-doxygen"
HDF5_SRCTAR='hdf5-1_10_9.tar.gz'
HDF5_SRCDIR='hdf5-hdf5-1_10_9'
HDF5_URL="https://github.com/HDFGroup/hdf5/archive/refs/tags/$HDF5_SRCTAR"
HDF5_OPTS=''
BZIP2_SRCTAR='bzip2-latest.tar.gz'
BZIP2_SRCDIR=''
BZIP2_URL="https://www.sourceware.org/pub/bzip2/$BZIP2_SRCTAR"
BZIP2_OPTS=''
ZLIB_SRCTAR='zlib-1.2.11.tar.gz'
ZLIB_SRCDIR='zlib-1.2.11'
ZLIB_URL="https://zlib.net/$ZLIB_SRCTAR"
ZLIB_OPTS=''
OPENBLAS_SRCTAR='OpenBLAS-0.3.13.tar.gz'
OPENBLAS_SRCDIR='OpenBLAS-0.3.13'
OPENBLAS_URL="https://github.com/xianyi/OpenBLAS/releases/download/v0.3.13/$OPENBLAS_SRCTAR"
OPENBLAS_OPTS=''
LAPACK_SRCTAR='v3.9.0.tar.gz'
LAPACK_SRCDIR='lapack-3.9.0'
LAPACK_URL="https://github.com/Reference-LAPACK/lapack/archive/$LAPACK_SRCTAR"
LAPACK_OPTS=''
PNETCDF_SRCTAR='pnetcdf-1.12.2.tar.gz'
PNETCDF_SRCDIR=''
PNETCDF_URL="https://parallel-netcdf.github.io/Release/$PNETCDF_SRCTAR"
PNETCDF_OPTS='--disable-fortran --disable-cxx'
FFTW_SRCTAR='fftw-3.3.9.tar.gz'
FFTW_SRCDIR='fftw-3.3.9'
FFTW_URL="ftp://ftp.fftw.org/pub/fftw/$FFTW_SRCTAR"
FFTW_OPTS='--enable-threads --with-combined-threads --with-pic --disable-fortran'
# ----- Variables for downloading MPI ------------
MPI_MPICH_SRCTAR='mpich-3.4.2.tar.gz'
MPI_MPICH_SRCDIR='mpich-3.4.2'
MPI_MPICH_URL="http://www.mpich.org/static/downloads/3.4.2/$MPI_MPICH_SRCTAR"
MPI_MPICH_OPTS='--with-device=ch3'
# ----- Configure options ------------------------
USE_CMAKE=0 # 1 = use cmake for build
COMPILE_VERBOSE=0 # 1 = show details during compile
USE_MPI=0 # 0 = no MPI, 1 = mpicc etc, 2 = mpiicc etc
USE_OPENMP=0 # 0 = no OpenMP, 1 = OpenMP
USE_CUDA=0 # 0 = no CUDA, 1 = CUDA
USE_HIP=0 # 0 = no HIP, 1 = HIP
USE_OPT=1 # 0 = no optimization, 1 = use compiler optimizations, 2 = optimize/tune.
BLAS_TYPE='other' # none|mkl|libsci(cray)|openblas|macAccelerate|other=normal BLAS
MKL_TYPE='mkl' # mkl = -mkl for Intel compilers, line = link-line advisor style
MKL_FFTW='' # If yes, use FFTW from MKL if not otherwise specified. If 'no' prevent this.
USE_DEBUG=0 # 0 = no debug info, 1 = enable compiler debug info
USE_STATIC=0 # 0 = dynamic linking, 1 = static linking, 2 = static link for specified libraries
USE_SHARED=0 # 1 = Use flag for position-independent code (required for libcpptraj)
USE_PROFILE=0 # 0 = no profiling, 1 = C++ profiling, 2 = GLIBC profiling, 3 = Intel Vtune
USE_AMBERLIB=0 # 1 = Use AMBERHOME to fill in NetCDF/BLAS/LAPACK/ARPACK as needed
BUILD_LIBS=0 # 1 = Means automatically say yes to building enabled libs when not present.
BUILD_MPI='' # If not empty, attempt to download and build specified mpi dist.
USE_SINGLEENSEMBLE=0 # Enable support for single ensemble trajectories
USE_CPPTRAJDEBUG=0 # Enable internal cpptraj debug flags
CLEAN='yes' # yes = clean after configure, no = do not
PERFORM_CHECKS='yes' # yes = Check compilers/libraries, no = do not
# Flags for large file support
LFS='-D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64'
# Install locations
CPPTRAJHOME=''
CPPTRAJBIN=''
CPPTRAJLIB=''
CPPTRAJINC=''
CPPTRAJDAT=''
# ----- External Libraries -----------------------
# Library indices
# Original: FFT ARPACK LAPACK BLAS NETCDF PARANC BZIP ZIP READLINE XDRFILE
# Libraries containing definition of a function should appear *after*
# any source files or object files which use it.
LNETCDF=0
LPARANC=1 # Parallel NetCDF
LBZIP=2
LTNGFILE=3 # This has to come before ZLIB since it depends on ZLIB
LZIP=4
LARPACK=5
LLAPACK=6
LBLAS=7
LFFTW3=8
LREADLINE=9
LXDRFILE=10
LTIMER=11
LCUDA=12
LHIP=13
LOPENMM=14
LHDF5=15
LSANDER=16 # Make sure this comes last to avoid pulling in unnecessary symbols
# Total number of external libraries
NLIB=17
# LIB_STAT = Library status:
# off : Do not use library.
# enabled : Try to use library.
# specified : Library directory has been specified.
# amberopt : Use library from AMBERHOME - optional.
# optional : Enabled if found, disabled if not.
# bundled : Use bundled version of library.
# direct : Library location directly specified.
LIB_STAT[$LNETCDF]='enabled' # off, enabled, specified, amberopt, optional, bundled, direct
LIB_CKEY[$LNETCDF]='netcdf' # Command-line key for '-', '--with-' and '-no'
LIB_HOME[$LNETCDF]='' # Library home directory (-L<home>)
LIB_FLAG[$LNETCDF]='-lnetcdf' # Library linker flag
LIB_STTC[$LNETCDF]='libnetcdf.a' # Expected static location relative to home
LIB_D_ON[$LNETCDF]='-DBINTRAJ' # Directive if library on
LIB_DOFF[$LNETCDF]='' # Directive if library off
LIB_LINK[$LNETCDF]='dynamic' # How to link the library
LIB_TYPE[$LNETCDF]='ld' # ld = LDFLAGS, cpp = cpptraj, blank = special
LIB_STAT[$LPARANC]='off'
LIB_CKEY[$LPARANC]='pnetcdf'
LIB_HOME[$LPARANC]=''
LIB_FLAG[$LPARANC]='-lpnetcdf'
LIB_STTC[$LPARANC]='libpnetcdf.a'
LIB_D_ON[$LPARANC]='-DHAS_PNETCDF'
LIB_DOFF[$LPARANC]=''
LIB_TYPE[$LPARANC]='ld'
LIB_STAT[$LBZIP]='enabled'
LIB_CKEY[$LBZIP]='bzlib'
LIB_HOME[$LBZIP]=''
LIB_FLAG[$LBZIP]='-lbz2'
LIB_STTC[$LBZIP]='libbz2.a'
LIB_D_ON[$LBZIP]='-DHASBZ2'
LIB_DOFF[$LBZIP]=''
LIB_TYPE[$LBZIP]='ld'
LIB_STAT[$LZIP]='enabled'
LIB_CKEY[$LZIP]='zlib'
LIB_HOME[$LZIP]=''
LIB_FLAG[$LZIP]='-lz'
LIB_STTC[$LZIP]='libz.a'
LIB_D_ON[$LZIP]='-DHASGZ'
LIB_DOFF[$LZIP]=''
LIB_TYPE[$LZIP]='ld'
LIB_STAT[$LBLAS]='enabled'
LIB_CKEY[$LBLAS]='blas'
LIB_HOME[$LBLAS]=''
LIB_FLAG[$LBLAS]='-lblas'
LIB_STTC[$LBLAS]='libblas.a'
LIB_D_ON[$LBLAS]=''
LIB_DOFF[$LBLAS]='-DNO_MATHLIB'
LIB_TYPE[$LBLAS]='cpp'
LIB_STAT[$LLAPACK]='enabled'
LIB_CKEY[$LLAPACK]='lapack'
LIB_HOME[$LLAPACK]=''
LIB_FLAG[$LLAPACK]='-llapack'
LIB_STTC[$LLAPACK]='liblapack.a'
LIB_D_ON[$LLAPACK]=''
LIB_DOFF[$LLAPACK]=''
LIB_TYPE[$LLAPACK]='cpp'
LIB_STAT[$LARPACK]='bundled'
LIB_CKEY[$LARPACK]='arpack'
LIB_HOME[$LARPACK]='arpack'
LIB_FLAG[$LARPACK]='-larpack'
LIB_STTC[$LARPACK]='libarpack.a'
LIB_D_ON[$LARPACK]=''
LIB_DOFF[$LARPACK]='-DNO_ARPACK'
LIB_TYPE[$LARPACK]='cpp'
LIB_STAT[$LFFTW3]='enabled'
LIB_CKEY[$LFFTW3]='fftw3'
LIB_HOME[$LFFTW3]=''
LIB_FLAG[$LFFTW3]='-lfftw3'
LIB_STTC[$LFFTW3]='libfftw3.a'
LIB_D_ON[$LFFTW3]='-DFFTW_FFT'
LIB_DOFF[$LFFTW3]=''
LIB_TYPE[$LFFTW3]='cpp'
LIB_STAT[$LREADLINE]='bundled'
LIB_CKEY[$LREADLINE]='readline'
LIB_HOME[$LREADLINE]='readline'
LIB_FLAG[$LREADLINE]='-lreadline'
LIB_STTC[$LREADLINE]='libreadline.a'
LIB_D_ON[$LREADLINE]=''
LIB_DOFF[$LREADLINE]='-DNO_READLINE'
LIB_TYPE[$LREADLINE]=''
LIB_STAT[$LXDRFILE]='bundled'
LIB_CKEY[$LXDRFILE]='xdrfile'
LIB_HOME[$LXDRFILE]='xdrfile'
LIB_FLAG[$LXDRFILE]='-lxdrfile'
LIB_STTC[$LXDRFILE]='libxdrfile.a'
LIB_D_ON[$LXDRFILE]=''
LIB_DOFF[$LXDRFILE]='-DNO_XDRFILE'
LIB_TYPE[$LXDRFILE]='cpp'
LIB_STAT[$LSANDER]='amberopt'
LIB_CKEY[$LSANDER]='sanderlib'
LIB_HOME[$LSANDER]=''
LIB_FLAG[$LSANDER]='-lsander'
LIB_STTC[$LSANDER]=''
LIB_D_ON[$LSANDER]='-DUSE_SANDERLIB'
LIB_DOFF[$LSANDER]=''
LIB_TYPE[$LSANDER]='ld'
LIB_STAT[$LTIMER]='off'
LIB_CKEY[$LTIMER]='timer'
LIB_FLAG[$LTIMER]='-lrt'
LIB_D_ON[$LTIMER]='-DTIMER'
LIB_TYPE[$LTIMER]='ld'
LIB_STAT[$LCUDA]='off'
LIB_CKEY[$LCUDA]='cuda'
LIB_HOME[$LCUDA]=''
LIB_FLAG[$LCUDA]='-lcudart'
LIB_STTC[$LCUDA]=''
LIB_D_ON[$LCUDA]='-DCUDA'
LIB_DOFF[$LCUDA]=''
LIB_TYPE[$LCUDA]='cpp'
LIB_STAT[$LHIP]='off'
LIB_CKEY[$LHIP]='hip'
LIB_HOME[$LHIP]=''
LIB_FLAG[$LHIP]='-lamdhip64'
LIB_STTC[$LHIP]=''
# TODO: Replace __HIP_PLATFORM_HCC__ after 4.1 rocm release
LIB_D_ON[$LHIP]='-DCUDA -D__HIP_PLATFORM_HCC__'
LIB_DOFF[$LHIP]=''
LIB_TYPE[$LHIP]='cpp'
LIB_STAT[$LTNGFILE]='bundled'
LIB_CKEY[$LTNGFILE]='tng'
LIB_HOME[$LTNGFILE]='tng'
LIB_FLAG[$LTNGFILE]='-ltng_io'
LIB_STTC[$LTNGFILE]='libtng_io.a'
LIB_D_ON[$LTNGFILE]='-DHAS_TNGFILE'
LIB_DOFF[$LTNGFILE]=''
LIB_TYPE[$LTNGFILE]='cpp'
LIB_STAT[$LHDF5]='enabled'
LIB_CKEY[$LHDF5]='hdf5'
LIB_HOME[$LHDF5]=''
LIB_FLAG[$LHDF5]=''
LIB_STTC[$LHDF5]='libhdf5.a'
LIB_D_ON[$LHDF5]='-DHAS_HDF5'
LIB_DOFF[$LHDF5]=''
LIB_LINK[$LHDF5]='dynamic'
LIB_TYPE[$LHDF5]='ld'
LIB_STAT[$LOPENMM]='off'
LIB_CKEY[$LOPENMM]='openmm'
LIB_HOME[$LOPENMM]=''
LIB_FLAG[$LOPENMM]='-lOpenMM'
LIB_STTC[$LOPENMM]=''
LIB_D_ON[$LOPENMM]='-DHAS_OPENMM'
LIB_DOFF[$LOPENMM]=''
LIB_TYPE[$LOPENMM]='cpp'
for ((i=0; i < $NLIB; i++)) ; do
LIB_LINK[$i]='dynamic'
LIB_DISABLED[$i]='false'
done
#-------------------------------------------------------------------------------
# Print error message to stderr
ErrMsg() {
>&2 echo "Error: $*"
}
#-------------------------------------------------------------------------------
# Print error message to stderr and exit.
Err() {
ErrMsg $*
exit 1
}
#-------------------------------------------------------------------------------
# Print warning message to stderr
WrnMsg() {
>&2 echo "Warning: $*"
}
#-------------------------------------------------------------------------------
# Check for '--with' and '-no' library keys.
CheckLibraryKeys() {
for ((i=0; i < $NLIB; i++)) ; do
LKEY="-"${LIB_CKEY[$i]}
if [ "$1" = "$LKEY" ] ; then
# If previously bundled, clear home
if [ "${LIB_STAT[$i]}" = 'bundled' ] ; then
LIB_HOME[$i]=''
fi
LIB_STAT[$i]='enabled'
echo " ${LIB_CKEY[$i]} enabled."
return 0
fi
LKEY="--with-"${LIB_CKEY[$i]}
if [ "$1" = "$LKEY" ] ; then
LIB_HOME[$i]=$2
LIB_STAT[$i]='specified'
echo " ${LIB_CKEY[$i]} specified: $2"
return 0
fi
LKEY="-no"${LIB_CKEY[$i]}
if [ "$1" = "$LKEY" ] ; then
LIB_STAT[$i]='off'
LIB_DISABLED[$i]='true'
echo " ${LIB_CKEY[$i]} disabled."
return 0
fi
LKEY="-l"${LIB_CKEY[$i]}
if [ "$1" = "$LKEY" ] ; then
LIB_STAT[$i]='direct'
LIB_FLAG[$i]=$2
echo " ${LIB_CKEY[$i]} location directly specified: $2"
return 0
fi
LKEY="-make"${LIB_CKEY[$i]}
if [ "$1" = "$LKEY" ] ; then
# For now this only works for certain libraries.
if [ "$1" != '-makeblas' -a "$1" != '-makenetcdf' ] ; then
return 1
fi
echo " Will attempt to download and build ${LIB_CKEY[$i]}"
LIB_STAT[$i]='enabled'
LIB_MAKE[$i]='yes'
return 0
fi
done
return 1
}
#-------------------------------------------------------------------------------
# Download and build an MPI implementation
# ARGS: <implementation>
BuildMPI() {
echo "Attempting to download and build MPI $1 (may be time-consuming)..."
case "$1" in
'mpich' )
mpi_libname='mpich'
mpi_srcdir=$MPI_MPICH_SRCDIR
mpi_srctar=$MPI_MPICH_SRCTAR
mpi_url=$MPI_MPICH_URL
mpi_opts=$MPI_MPICH_OPTS
if [ "$COMPILERS" = 'gnu' ] ; then
fc_version=`$FC --version | awk '{print $4; exit 0;}' | cut -d'.' -f1`
echo "DEBUG: major version $fc_version"
if [ "$fc_version" -ge 10 ] ; then
mpi_fflags='-fallow-argument-mismatch'
fi
fi
;;
* )
Err "Unrecognized MPI: $1"
;;
esac
# Build specified MPI
PREFIX=$CPPTRAJHOME CC=$CC CFLAGS=$CFLAGS FC=$FC FFLAGS="$FFLAGS $mpi_fflags" LIBNAME=$mpi_libname \
SRCDIR=$mpi_srcdir SRCTAR=$mpi_srctar URL=$mpi_url ./get_library.sh --rebuild $mpi_opts
if [ $? -ne 0 ] ; then
Err "No MPI $1 available. To build without MPI do not specify the '-mpi' flag."
fi
}
#-------------------------------------------------------------------------------
# Test compile and run a program.
# ARGS: [noexe|silent|quiet] <description> <compiler> <args> <file> [<link>]
TestProgram() {
if [ $BUILD_LIBS -eq 0 ] ; then
REBUILDOPT=''
else
REBUILDOPT='--rebuild'
fi
if [ "$1" = 'noexe' ] ; then
# Output messages, do not execute compiled binary; exit on error
silent=3
shift
elif [ "$1" = 'quiet' ] ; then
# Output nothing.
silent=2
shift
elif [ "$1" = 'silent' ] ; then
# Output messages but return 1 instead of exit 1
silent=1
shift
else
# Output message; exit on error
silent=0
fi
desc="$1"
comp="$2"
args="$3"
file="$4"
link="$5 $LDFLAGS"
if [ $silent -ne 2 ] ; then echo -n "$desc: " ; fi
COMPILELINE="$comp $args -o testp $file $link"
#echo "COMPILE: $COMPILELINE" #DEBUG
$COMPILELINE > $COMPOUT 2> $COMPERR
if [ $? -ne 0 -o ! -f 'testp' ] ; then
if [ $silent -eq 0 -o $silent -eq 3 ] ; then
echo ""
ErrMsg "Test compile failed: $COMPILELINE"
ErrMsg "Check the output below for error messages:"
cat $COMPERR >&2
exit 1
else
COMPILE_ERROR_LINE=$COMPILELINE
COMPILE_ERROR_MESSAGE=`cat $COMPERR`
#echo "DEBUG: Error: $COMPILE_ERROR_LINE"
#echo "DEBUG: Error: $COMPILE_ERROR_MESSAGE"
rm $COMPERR $COMPOUT
return 1
fi
fi
if [ $silent -ne 3 ] ; then
./testp > prog.out
if [ $? -ne 0 ] ; then
echo ""
if [ $silent -eq 1 ] ; then
#echo "DEBUG silent fail: $COMPILELINE"
return 1
fi
Err "Run of test program failed, compiled with: $COMPILELINE"
fi
rm prog.out
fi
if [ $silent -ne 2 ] ; then echo "OK" ; fi
rm -f $file testp $COMPERR
return 0
}
# Error message for TestProgram silent
TestProgErr() {
desc=$1
echo "Failed."
ErrMsg "$1 build/link failed: $COMPILE_ERROR_LINE"
ErrMsg "Error message follows:"
ErrMsg "$COMPILE_ERROR_MESSAGE"
exit 1
}
# This is invoked if linking a bundled library fails.
CheckRebuild() {
desc=$1
libfile=$2
if [ -z "$REBUILDOPT" -a -f "$libfile" ] ; then
echo "Bundled $desc present but needs to be rebuilt."
REBUILDOPT='--rebuild'
fi
}
# ===== LIBRARY TESTS ==========================================================
TestBzlib() {
cat > testp.cpp <<EOF
#include <cstdio>
#include "bzlib.h"
int main() { BZFILE *bfile; bfile=NULL; printf("Testing\n"); return 0; }
EOF
TestProgram silent " Checking BZLIB" "$CXX" "$CXXFLAGS ${LIB_INCL[$LBZIP]}" testp.cpp "${LIB_FLAG[$LBZIP]}"
if [ $? -ne 0 ] ; then
if [ "${LIB_STAT[$LBZIP]}" = 'enabled' ] ; then
# See if there is already a version of BZIP2 in CPPTRAJHOME
LIB_STAT[$LBZIP]='specified'
LIB_HOME[$LBZIP]=$CPPTRAJHOME
LIB_FLAG[$LBZIP]=$CPPTRAJHOME/lib/${LIB_STTC[$LBZIP]}
LIB_INCL[$LBZIP]="-I$CPPTRAJHOME/include"
TestProgram $BUILDTESTOPT " Checking for bundled Bzip2" "$CXX" "$CXXFLAGS ${LIB_INCL[$LBZIP]}" testp.cpp "${LIB_FLAG[$LBZIP]}"
if [ $? -ne 0 ] ; then
CheckRebuild "Bzip2" "${LIB_FLAG[$LBZIP]}"
# See if user would like to get Bzip2
PREFIX=$CPPTRAJHOME CC=$CC CFLAGS=$CFLAGS LIBNAME='bzip2' \
SRCDIR=$BZIP2_SRCDIR SRCTAR=$BZIP2_SRCTAR URL=$BZIP2_URL ./get_library.sh $REBUILDOPT $BZIP2_OPTS
if [ $? -ne 0 ] ; then
ErrMsg "No Bzip2 available. To build without Bzip2 specify '-nobzlib'."
exit 1
fi
# Test the built Bzip2
TestProgram " Checking built Bzip2" "$CXX" "$CXXFLAGS ${LIB_INCL[$LBZIP]}" testp.cpp "${LIB_FLAG[$LBZIP]}"
fi
else
# Bzip2 specified but failed.
TestProgErr "Bzip2"
fi
fi
}
TestZlib() {
cat > testp.cpp <<EOF
#include <cstdio>
#include "zlib.h"
int main() { gzFile gfile; gfile=NULL; printf("Testing\n"); return 0; }
EOF
TestProgram silent " Checking ZLIB" "$CXX" "$CXXFLAGS ${LIB_INCL[$LZIP]}" testp.cpp "${LIB_FLAG[$LZIP]}"
if [ $? -ne 0 ] ; then
if [ "${LIB_STAT[$LZIP]}" = 'enabled' ] ; then
# See if there is already a version of ZLIB in CPPTRAJHOME
LIB_STAT[$LZIP]='specified'
LIB_HOME[$LZIP]=$CPPTRAJHOME
LIB_FLAG[$LZIP]=$CPPTRAJHOME/lib/${LIB_STTC[$LZIP]}
LIB_INCL[$LZIP]="-I$CPPTRAJHOME/include"
TestProgram $BUILDTESTOPT " Checking for bundled ZLIB" "$CXX" "$CXXFLAGS ${LIB_INCL[$LZIP]}" testp.cpp "${LIB_FLAG[$LZIP]}"
if [ $? -ne 0 ] ; then
CheckRebuild "ZLIB" "${LIB_FLAG[$LZIP]}"
# See if user would like to get ZLIB
PREFIX=$CPPTRAJHOME CC=$CC CFLAGS=$CFLAGS LIBNAME='zlib' \
SRCDIR=$ZLIB_SRCDIR SRCTAR=$ZLIB_SRCTAR URL=$ZLIB_URL ./get_library.sh $REBUILDOPT $ZLIB_OPTS
if [ $? -ne 0 ] ; then
ErrMsg "No ZLIB available. To build without ZLIB specify '-nozlib'."
exit 1
fi
# Test the built ZLIB
TestProgram " Checking built ZLIB" "$CXX" "$CXXFLAGS ${LIB_INCL[$LZIP]}" testp.cpp "${LIB_FLAG[$LZIP]}"
fi
else
# ZLIB specified but failed.
TestProgErr "ZLIB"
fi
fi
}
TestHdf5() {
# First, check if NetCDF has HDF5 support baked in.
cat > testp.cpp <<EOF
#include <cstdio>
#include "netcdf.h"
void unused() {
int ncid, varid;
int dims[1];
// Create a netcdf4 file
nc_create("foo.nc", NC_NETCDF4, &ncid);
// Create a dimension
dims[1] = 10;
nc_def_var(ncid, "MyVar", NC_DOUBLE, 1, dims, &varid);
// Set deflate
int err = nc_def_var_deflate(ncid, varid, NC_SHUFFLE, 1, 1);
}
int main() { printf("Testing\n"); printf("%s\n",nc_strerror(0)); return 0; }
EOF
TestProgram silent " Checking NetCDF4/HDF5" "$CXX" "$CXXFLAGS ${LIB_INCL[$LNETCDF]}" testp.cpp "${LIB_FLAG[$LNETCDF]}"
if [ $? -eq 0 ] ; then
# HDF5 support is present.
# If we are going to build our own netcdf, it needs to know how to link
# HDF5.
if [ "${LIB_MAKE[$LNETCDF]}" = 'yes' ] ; then
LIB_FLAG[$LHDF5]="-lhdf5_hl -lhdf5 -ldl ${LIB_FLAG[$LZIP]}"
fi
return 0
fi
# If netcdf was specified, this means netcdf was built without hdf5 support
if [ "${LIB_STAT[$LNETCDF]}" = 'specified' ] ; then
ErrMsg "NetCDF in '${LIB_HOME[$LNETCDF]}' does not have HDF5 support."
ErrMsg "To use this NetCDF, disable HDF5 support with '-nohdf5'."
exit 1
fi
# Check for separate HDF5
cat > testp.cpp <<EOF
#include <cstdio>
#include "hdf5.h"
void unused() {
hid_t file;
file = H5Fcreate("tmp", H5F_ACC_TRUNC, H5P_DEFAULT, H5P_DEFAULT);
herr_t status = H5Fclose(file);
}
int main() {
printf("Testing\n");
return 0;
}
EOF
TestProgram silent " Checking HDF5" "$CXX" "$CXXFLAGS ${LIB_INCL[$LHDF5]}" testp.cpp "${LIB_FLAG[$LHDF5]}"
if [ $? -ne 0 ] ; then
if [ "${LIB_STAT[$LHDF5]}" = 'enabled' ] ; then
# See if there is already a version of HDF5 in CPPTRAJHOME
LIB_STAT[$LHDF5]='specified'
LIB_HOME[$LHDF5]=$CPPTRAJHOME
LIB_FLAG[$LHDF5]="$CPPTRAJHOME/lib/libhdf5_hl.a $CPPTRAJHOME/lib/${LIB_STTC[$LHDF5]} -ldl ${LIB_FLAG[$LZIP]}"
LIB_INCL[$LHDF5]="-I$CPPTRAJHOME/include"
TestProgram $BUILDTESTOPT " Checking for bundled HDF5" "$CXX" "$CXXFLAGS ${LIB_INCL[$LHDF5]}" testp.cpp "${LIB_FLAG[$LHDF5]}"
if [ $? -ne 0 ] ; then
CheckRebuild "HDF5" "${LIB_FLAG[$LHDF5]}"
# See if user would like to get HDF5
PREFIX=$CPPTRAJHOME CC=$CC CFLAGS=$CFLAGS LIBNAME='hdf5' \
SRCDIR=$HDF5_SRCDIR SRCTAR=$HDF5_SRCTAR URL=$HDF5_URL ./get_library.sh $REBUILDOPT $HDF5_OPTS
if [ $? -ne 0 ] ; then
ErrMsg "No HDF5 available. To build without HDF5 specify '-nohdf5'."
exit 1
fi
# Test the built HDF5
TestProgram " Checking built HDF5" "$CXX" "$CXXFLAGS ${LIB_INCL[$LHDF5]}" testp.cpp "${LIB_FLAG[$LHDF5]}"
fi
else
# HDF5 specified but failed.
TestProgErr "HDF5"
fi
fi
}
TestNetcdf() {
cat > testp.cpp <<EOF
#include <cstdio>
#include "netcdf.h"
void unused() {int ncid; nc_open("foo.nc", 0, &ncid);}
int main() { printf("Testing\n"); printf("%s\n",nc_strerror(0)); return 0; }
EOF
check_netcdf=0
if [ "${LIB_MAKE[$LNETCDF]}" != 'yes' ] ; then
TestProgram silent " Checking NetCDF" "$CXX" "$CXXFLAGS ${LIB_INCL[$LNETCDF]}" testp.cpp "${LIB_FLAG[$LNETCDF]}"
check_netcdf=$?
rebuild_netcdf=$REBUILDOPT
else
rebuild_netcdf='--rebuild'
fi
if [ $check_netcdf -ne 0 -o "${LIB_MAKE[$LNETCDF]}" == 'yes' ] ; then
if [ "${LIB_STAT[$LNETCDF]}" = 'enabled' ] ; then
# See if there is already a version of NetCDF in CPPTRAJHOME
LIB_STAT[$LNETCDF]='specified'
LIB_HOME[$LNETCDF]=$CPPTRAJHOME
LIB_FLAG[$LNETCDF]=$CPPTRAJHOME/lib/${LIB_STTC[$LNETCDF]}
LIB_INCL[$LNETCDF]="-I$CPPTRAJHOME/include"
if [ "${LIB_STAT[$LHDF5]}" != 'off' ] ; then
# Netcdf needs to know where hdf5 is
LIB_FLAG[$LNETCDF]="${LIB_FLAG[$LNETCDF]} ${LIB_FLAG[$LHDF5]}"
LIB_INCL[$LNETCDF]="${LIB_INCL[$LNETCDF]} ${LIB_INCL[$LHDF5]}"
fi
TestProgram $BUILDTESTOPT " Checking for bundled NetCDF" "$CXX" "$CXXFLAGS ${LIB_INCL[$LNETCDF]}" testp.cpp "${LIB_FLAG[$LNETCDF]}"
if [ $? -ne 0 ] ; then
# Check if lib present but needs to be rebuilt
CheckRebuild "NetCDF" "${LIB_FLAG[$LNETCDF]}"
if [ "${LIB_STAT[$LHDF5]}" != 'off' ] ; then
# Get/compile netcdf4 with HDF5
# Some of the HDF5-related portions of NetCDF4 have race conditions,
# so override MAKE_COMMAND
if [ -z "$MAKE_COMMAND" ] ; then
echo "Setting MAKE_COMMAND to 'make -j1' to avoid NetCDF4/HDF5 race conditions."
else
echo "Overriding MAKE_COMMAND with 'make -j1' to avoid NetCDF4/HDF5 race conditions."
fi
PREFIX=$CPPTRAJHOME CC=$CC CFLAGS=$CFLAGS LIBNAME='netcdf' MAKE_COMMAND='make -j1' \
CPPFLAGS=${LIB_INCL[$LHDF5]} LDFLAGS="-L$CPPTRAJHOME/lib" \
SRCDIR=$NETCDF_SRCDIR SRCTAR=$NETCDF_SRCTAR URL=$NETCDF_URL ./get_library.sh $rebuild_netcdf $NETCDF4_OPTS
netcdferr=$?
else
# Get/compile netcdf3
PREFIX=$CPPTRAJHOME CC=$CC CFLAGS=$CFLAGS LIBNAME='netcdf' \
SRCDIR=$NETCDF_SRCDIR SRCTAR=$NETCDF_SRCTAR URL=$NETCDF_URL ./get_library.sh $rebuild_netcdf $NETCDF_OPTS
netcdferr=$?
fi
if [ $netcdferr -ne 0 ] ; then
ErrMsg "No NetCDF available. To build without NetCDF specify '-nonetcdf'"
exit 1
fi
# Test the built netcdf
TestProgram " Checking built NetCDF" "$CXX" "$CXXFLAGS ${LIB_INCL[$LNETCDF]}" testp.cpp "${LIB_FLAG[$LNETCDF]}"
fi
else
# NetCDF specified but failed.
TestProgErr "NetCDF"
fi
fi
}
TestPnetcdf() {
cat > testp.cpp <<EOF
#include <cstdio>
#include <pnetcdf.h>
void unused() {int ncid; ncmpi_open(MPI_COMM_WORLD, "foo.nc", NC_NOWRITE, MPI_INFO_NULL, &ncid);}
int main() { printf("Testing\n"); printf("%s\n",ncmpi_strerror(0)); return 0; }
EOF
TestProgram silent " Checking Parallel NetCDF" "$CXX" "$CXXFLAGS ${LIB_INCL[$LPARANC]}" testp.cpp "${LIB_FLAG[$LPARANC]}"
pnetcdfstat=$?
# Check if pnetcdf just needs netcdf support
if [ $pnetcdfstat -ne 0 -a "${LIB_STAT[$LPARANC]}" = 'specified' ] ; then
TestProgram silent " Checking Parallel NetCDF (link to NetCDF)" "$CXX" "$CXXFLAGS ${LIB_INCL[$LPARANC]} ${LIB_INCL[$LNETCDF]}" testp.cpp "${LIB_FLAG[$LPARANC]} ${LIB_FLAG[$LNETCDF]}"
pnetcdfstat=$?
# If above check worked, pnetcdf should be linked OK with netcdf flags
return 0
#echo "DEBUG: Returned $?"
fi
if [ $pnetcdfstat -ne 0 ] ; then
if [ "${LIB_STAT[$LPARANC]}" = 'optional' ] ; then
WrnMsg "Parallel NetCDF test failed. CPPTRAJ will be built without parallel NetCDF."
LIB_STAT[$LPARANC]='off'
elif [ "${LIB_STAT[$LPARANC]}" = 'enabled' ] ; then
# See if there is already a version of parallel netcdf in CPPTRAJHOME
LIB_STAT[$LPARANC]='specified'
LIB_HOME[$LPARANC]=$CPPTRAJHOME
LIB_FLAG[$LPARANC]=$CPPTRAJHOME/lib/${LIB_STTC[$LPARANC]}
LIB_INCL[$LPARANC]="-I$CPPTRAJHOME/include"
TestProgram $BUILDTESTOPT " Checking for bundled parallel NetCDF" "$CXX" "$CXXFLAGS ${LIB_INCL[$LPARANC]}" testp.cpp "${LIB_FLAG[$LPARANC]}"
if [ $? -ne 0 ] ; then
CheckRebuild "Pnetcdf" "${LIB_FLAG[$LPARANC]}"
# See if user would like to get parallel netcdf
PREFIX=$CPPTRAJHOME CC=$CC CFLAGS=$CFLAGS LIBNAME='pnetcdf' \
SRCDIR=$PNETCDF_SRCDIR SRCTAR=$PNETCDF_SRCTAR URL=$PNETCDF_URL ./get_library.sh $REBUILDOPT $PNETCDF_OPTS
if [ $? -ne 0 ] ; then
echo "Disabling parallel NetCDF support."
LIB_STAT[$LPARANC]='off'
else
# Test the built parallel netcdf
TestProgram " Checking built parallel NetCDF" "$CXX" "$CXXFLAGS ${LIB_INCL[$LPARANC]}" testp.cpp "${LIB_FLAG[$LPARANC]}"
fi
fi
else
# Parallel NetCDF specified but failed.
TestProgErr "Pnetcdf"
fi
fi
}
DetermineFlink() {
if [ "$1" = 'silent' ] ; then
final_opt='silent'
shift
else
final_opt=''
fi
desc="$1"
flibs="$2"
# Do we already need FLINK?
if [ $REQUIRES_FLINK -eq 0 ] ; then
flink_opts="no yes"
else
flink_opts="yes"
fi
# Go through combinations of FLINK/pthread
flink_success=0
for use_flink in $flink_opts ; do
for use_pthread in no yes ; do
libs_to_use="$flibs"
if [ "$use_flink" = 'yes' ] ; then
libs_to_use="$libs_to_use $FLINK"
fi
if [ "$use_pthread" = 'yes' ] ; then
libs_to_use="$libs_to_use -lpthread"
fi
if [ "$use_flink" = 'yes' -a "$use_pthread" = 'yes' ] ; then
# Final try. Report errors here
report=$final_opt
else
report='quiet'
fi
#echo "DEBUG: Testing $desc flink $use_flink pthread $use_pthread $report"
TestProgram $report "$desc" "$CXX" "$CXXFLAGS" testp.cpp "$libs_to_use"
if [ $? -eq 0 ] ; then
# Compile/run worked.
if [ "$use_flink" = 'yes' ] ; then
REQUIRES_FLINK=1
fi
if [ "$use_pthread" = 'yes' ] ; then
REQUIRES_PTHREAD=1
fi
flink_success=1
if [ "$report" = 'quiet' ] ; then
echo "$desc: OK"
fi
return 0
elif [ "$report" = 'silent' ] ; then
# Final iteration failed
return 1
fi
done
done
if [ $flink_success -eq 0 ] ; then
# Sanity check. Should not make it here.
echo "Error: Unexpected error in DetermineFlink()."
exit 1
fi
return 0
}
TestMathlib() {
cat > testp.cpp <<EOF
#include <cstdio>
extern "C" {
void dsyev_(char*, char*, int&, double*, int&, double*,double*,int&,int&);
void dgemm_(char*, char*, int&, int&, int&, double&,
double*, int&, double*, int&, double&, double*, int&);
}
int main() {
int n_cols = 3, lwork = 102, info;
double work[102], mat[9], vec[3], alpha = 1.0;
mat[0] = 1.0; mat[1] = 1.0; mat[2] = 1.0;
mat[3] = 1.0; mat[4] = 1.0; mat[5] = 1.0;
mat[6] = 1.0; mat[7] = 1.0; mat[8] = 1.0;
dsyev_((char*)"V", (char*)"U", n_cols, mat, n_cols, vec, work, lwork, info);
dgemm_((char*)"N",(char*)"N", n_cols, n_cols, n_cols, alpha,
mat, n_cols, mat, n_cols, alpha, mat, n_cols);
printf("Testing\n"); return 0;
}
EOF
check_lblas=0
if [ "${LIB_MAKE[$LBLAS]}" != 'yes' ] ; then
DetermineFlink silent " Checking LAPACK/BLAS" "${LIB_FLAG[$LLAPACK]} ${LIB_FLAG[$LBLAS]}"
check_lblas=$?
rebuild_math=$REBUILDOPT
else
rebuild_math='--rebuild'
fi
if [ $check_lblas -ne 0 -o "${LIB_MAKE[$LBLAS]}" = 'yes' ] ; then
if [ "${LIB_STAT[$LBLAS]}" = 'enabled' ] ; then
if [ "$BLAS_TYPE" = 'openblas' ] ; then
MATH_SRCDIR=$OPENBLAS_SRCDIR
MATH_SRCTAR=$OPENBLAS_SRCTAR
MATH_URL=$OPENBLAS_URL
MATH_OPTS=$OPENBLAS_OPTS
MATH_LIBNAME='openblas'
elif [ "$BLAS_TYPE" = 'other' ] ; then
MATH_SRCDIR=$LAPACK_SRCDIR
MATH_SRCTAR=$LAPACK_SRCTAR
MATH_URL=$LAPACK_URL
MATH_OPTS=$LAPACK_OPTS
MATH_LIBNAME='lapack'
LIB_STAT[$LLAPACK]='specified'
LIB_HOME[$LLAPACK]=$CPPTRAJHOME
LIB_FLAG[$LLAPACK]=$CPPTRAJHOME/lib/${LIB_STTC[$LLAPACK]}
LIB_INCL[$LLAPACK]="-I$CPPTRAJHOME/include"
else
# Bundle not supported for this BLAS type
TestProgErr "LAPACK/BLAS"
fi
# See if there is already a version of BLAS in CPPTRAJHOME
LIB_STAT[$LBLAS]='specified'
LIB_HOME[$LBLAS]=$CPPTRAJHOME
LIB_FLAG[$LBLAS]=$CPPTRAJHOME/lib/${LIB_STTC[$LBLAS]}
LIB_INCL[$LBLAS]="-I$CPPTRAJHOME/include"
DetermineFlink $BUILDTESTOPT " Checking for bundled LAPACK/BLAS" "${LIB_FLAG[$LLAPACK]} ${LIB_FLAG[$LBLAS]}"
#TestProgram silent " Checking for bundled OpenBLAS" "$CXX" "$CXXFLAGS ${LIB_INCL[$LBLAS]}" testp.cpp "${LIB_FLAG[$LBLAS]}"
if [ $? -ne 0 ] ; then
# Check if lib present but needs to be rebuilt
CheckRebuild "LAPACK/BLAS" "${LIB_FLAG[$LBLAS]}"
# See if user would like to get blas
PREFIX=$CPPTRAJHOME CC="$CC" CFLAGS="$CFLAGS" FC="$FC" FFLAGS="$F77FLAGS" FFLAGS_NOOPT="$F77FLAGS_NOOPT" LIBNAME="$MATH_LIBNAME" \
SRCDIR=$MATH_SRCDIR SRCTAR=$MATH_SRCTAR URL=$MATH_URL ./get_library.sh $rebuild_math $MATH_OPTS
if [ $? -ne 0 ] ; then
ErrMsg "No LAPACK/BLAS available. To build without LAPACK/BLAS specify '-nomathlib'."
exit 1
fi
# Test the built openblas
DetermineFlink " Checking built LAPACK/BLAS" "${LIB_FLAG[$LLAPACK]} ${LIB_FLAG[$LBLAS]}"
#TestProgram " Checking built OpenBLAS" "$CXX" "$CXXFLAGS ${LIB_INCL[$LBLAS]}" testp.cpp "${LIB_FLAG[$LBLAS]}"
fi
else
# BLAS specified but failed.
TestProgErr "LAPACK/BLAS"
fi
fi
}
TestArpack() {
cat > testp.cpp <<EOF
#include <cstdio>
extern "C" {
void dsaupd_(int&, char&, int&, char*, int&, double&, double*,
int&, double*, int&, int*, int*, double*, double*,
int&, int&);
}
int main() {
int ival = 0;
double dval = 0.0;