configure

#!/bin/bash
#configure script adapted from Aquarius software (https://github.com/devinamatthews/aquarius)


usage()
{
	echo -e 'Usage: configure [options]'
	echo
	echo -e '\t--blas=libs       Specify the linker options and/or libraries needed to link'
	echo -e '\t                  the BLAS. If not specified, common BLAS libraries will be searched for.'
	echo
	echo -e '\t--lapack=libs     Specify the linker options and/or libraries needed to link'
	echo -e '\t                  the LAPACK libraries. If not specified, common LAPACK libraries will be searched for.'
	echo
	echo -e '\t--scalapack=libs  Specify the linker options and/or libraries needed to link'
	echo -e '\t                  the ScaLAPACK libraries. If not specified, ScaLAPACK tests will not be built.'
	echo
	echo -e '\t--elpa=libs       Specify the linker options and/or libraries needed to link'
	echo -e '\t                  the ELPA libraries. If not specified, ELPA benchmarks will not be built.'
	echo
	echo -e 'Additionally, the variables CXX, CXXFLAGS, LDFLAGS,'
	echo -e 'AR, WARN, and INCLUDES can be set on the command line, e.g. configure CXX=mpicxx.'
	echo
}

#Usage: 'testcompiler $1' where 
# $1 - 0 if no printouts, 1 if verbose
testcompiler()
{
  status=1
  cat > .test.c <<EOF
  int main(){ return 0; }
EOF
  if [ $1 -eq 1 ]; then
    ( set -x; $CXX $DEFS $WARNFLAGS $CXXFLAGS $INCLUDES .test.c $LDFLAGS  2>&1 )
  else
    $CXX $DEFS $WARNFLAGS $CXXFLAGS $INCLUDES .test.c $LDFLAGS  > /dev/null 2>&1
  fi
  if [ -x a.out ]; then
    status=0
  fi
  rm -f .test.c a.out
  return $status
}


#tests openmp functionality
testopenmp()
{
  status=1
  cat > .test.c <<EOF
  #include "omp.h"
  int main(){ 
    int i;
    int j = 0;
    omp_set_num_threads(1);
    #pragma omp for
    for (i=0; i<10; i++){
      j+=i;
    } 
    return j; 
  }
EOF
  $CXX $DEFS $WARNFLAGS $CXXFLAGS $INCLUDES .test.c  $LDFLAGS > /dev/null 2>&1
  if [ -x a.out ]; then
    status=0
  fi
  rm -f .test.c a.out
  return $status

}



#Usage: 'testlink $1 $2 $3' where 
# $1 - library link line
# $2 - symbol (function)
# $3 - 0 if no printouts, 1 if verbose
testlink()
{
  status=1
  cat > .test.c <<EOF
#ifdef __cplusplus
  extern "C" 
#endif
  void $2();
  int main(){ $2(); return 0; }
EOF
  if [ $3 -eq 1 ]; then
    ( set -x; $CXX $DEFS $INCLUDES $WARN $CXXFLAGS .test.c $1 $LDFLAGS  2>&1 )
  else
    $CXX $DEFS $INCLUDES $WARN $CXXFLAGS .test.c $1 $LDFLAGS  > /dev/null 2>&1
  fi
  if [ -x a.out ]; then
    status=0
  fi
  rm -f .test.c a.out
  return $status

}
#Usage: 'testcpp11 $1 $2' where 
# $1 - compiler flag to test can be ''
# $2 - 0 if no printouts, 1 if verbose
#tests whether C++ 11 is available
testcpp11()
{
  status=1
  cat > .test.c <<EOF
  int main(){ char * ptr = nullptr; return 0; }
EOF
  if [ $2 -eq 1 ]; then
    ( set -x; $CXX $DEFS $INCLUDES $WARN $CXXFLAGS .test.c $1 $LDFLAGS  2>&1 )
  else
    $CXX $DEFS $INCLUDES $WARN $CXXFLAGS .test.c $1 $LDFLAGS  > /dev/null 2>&1
  fi
  if [ -x a.out ]; then
    status=0
  fi
  rm -f .test.c a.out
  return $status
}


realcompiler()
{
    if $CXX --version > /dev/null 2>&1; then
        version=`$CXX --version 2>&1 | tr '\n' ' '`
    elif $CXX -V > /dev/null 2>&1; then
        version=`$CXX -V 2>&1 | tr '\n' ' '`
    else
        $CXX --version
        $CXX -V 
        echo 'Could not determine underlying C/C++ compilers.'
        echo
        exit 1
    fi

    case $version in
        *Intel*)
            echo 'Using Intel compilers.'
            compiler=intel
            ;;
        *Portland*)
            echo 'Portland Group compilers are not supported.'
            exit 1
            compiler=pgi
            ;;
        *Free\ Software*)
            echo 'Using GNU compilers.'
            compiler=gnu
            ;;
        *Cray*)
            echo 'Cray compilers are not supported.'
            exit 1
            compiler=cray
            ;;
        *)
            echo 'Could not determine underlying C/C++ compilers.'
            exit 1
            ;;
    esac
}

defaultflags()
{
    #
    # Set default compiler flags
    #
    case $compiler in
        intel)
            if [ "x$AR"       = "x" ]; then AR='xiar'; fi
            if [ "x$CXXFLAGS" = "x" ]; then CXXFLAGS='-fast -no-ipo -openmp -restrict'; fi
            if [ "x$DEFS"     = "x" ]; then DEFS='-D_POSIX_C_SOURCE=200112L -D__STDC_LIMIT_MACROS'; fi
            if [ "x$WARN"     = "x" ]; then WARN='-Wall'; fi
            PASS_TO_LINKER='-Wl,'
            ;;
        gnu)
            if [ "x$AR"       = "x" ]; then AR='ar'; fi
            if [ "x$CXXFLAGS" = "x" ]; then CXXFLAGS='-O3 -fopenmp'; fi
            if [ "x$DEFS"     = "x" ]; then DEFS='-D_POSIX_C_SOURCE=200112L -D__STDC_LIMIT_MACROS -Drestrict=__restrict__'; fi
            if [ "x$WARN"     = "x" ]; then WARN='-Wall -Wno-comment -Wno-sign-compare'; fi
            PASS_TO_LINKER='-Wl,'
            ;;
        *)
            echo 'No default flags known for given compilers. Make sure that you have set the'
            echo 'appropriate compiler flags manually.'
            echo
            if [ "x$AR"       = "x" ]; then AR='ar'; fi
            if [ "x$CXXFLAGS" = "x" ]; then CXXFLAGS='-g -O2 -fopenmp'; fi
            if [ "x$DEFS"     = "x" ]; then DEFS='-D_POSIX_C_SOURCE=200112L -D__STDC_LIMIT_MACROS -Drestrict='; fi
            if [ "x$WARN"     = "x" ]; then WARN='-Wall'; fi
            PASS_TO_LINKER='-Wl,'
            ;;
    esac
}


echo -n 'Checking hostname... '

#
# Check for known supercomputer host names
#
if (hostname | grep 'carver'); then
    echo 'Hostname recognized as a NERSC machine'
    host=nersc
    
    if [ "x$BLASLIBS" = "x" ]; then
        if [ "x$MKL" = "x" -o "x$MKL_ILP64" = "x" ]; then
            echo 'MKL module not loaded and no alternative specified.'
            echo 'Do "module load mkl" or use the --blas option.'
            exit 1
        fi
    fi
    
    CXX=mpiCC
    realcompiler
    defaultflags
    DEFS="$DEFS -DCARVER"
    
    
#elif [ "$NERSC_HOST" = "hopper" -o "$NERSC_HOST" = "edison" ]; then
elif (hostname | grep 'hopper\|edison'); then
    echo 'Hostname recognized as a NERSC machine'
    host=nersc
    
    CXX=CC
    realcompiler
    defaultflags
    DEFS="$DEFS -DEDISON"

    echo -n 'Checking if MKL available...'
    if testlink '-mkl' dgemm_ 0; then
      LDFLAGS='-mkl'
      echo 'using -mkl'
    else
      echo '-mkl did not work, please run module load mkl to use MKL.'
      testlink '-mkl' dgemm_ 1
    fi
    
      
elif (hostname | grep 'surveyor\|intrepid\|challenger\|udawn'); then
	echo 'Hostname recognized as a BG/P machine'
	
	host=bgp
	BLASLIBS='-lesslsmpbg -lmass -lxlfmath -lxlf90_r -lxlsmp -lxlomp_ser -lpthread'
	BGP_ESSL='/soft/apps/ESSL-4.4.1-0'
	LDFLAGS="-L$BGP_ESSL/lib \
             -L/bgsys/ibm_compilers/sles10/prod/opt/ibmcmp/xlf/bg/11.1/bglib/ \
             -L/soft/apps/ibmcmp/xlsmp/bg/1.7/bglib \
             -L/soft/apps/ibmcmp/xlf/bg/11.1/bglib"
	INCLUDES="-I$BGP_ESSL/include -I/bgsys/drivers/ppcfloor/arch/include"
	AR='ar'
	CXX=mpixlcxx_r
	CFLAGS='-qsmp=omp -qlanglvl=stdc99 -qnoipa -g -O3'
	CXXFLAGS='-qsmp=omp -D__STDC_LIMIT_MACROS -Drestrict='
	DEFS='-DBGP -D_POSIX_C_SOURCE=200112L'
	WARN='-Wall'
	
elif (hostname | grep 'vesta\|mira\|cetus\|seq'); then
	echo 'Hostname recognized as a BG/Q machine'
 
	host=bgq
  SCALAPACKLIBS="-L/soft/libraries/alcf/current/xl/SCALAPACK/lib/ -lscalapack"
	BLASLIBS="-L/soft/libraries/alcf/current/xl/LAPACK/lib/ -llapack -lgfortran -lesslsmpbg -lxlsmp -lxlfmath -lxlf90_r -lm -Wl,--allow-multiple-definition"
	BGQ_ESSL='/soft/libraries/essl/current'
	LDFLAGS="-L$BGQ_ESSL/lib64 -L$IBM_MAIN_DIR/xlf/bg/14.1/bglib64/ -L$IBM_MAIN_DIR/xlsmp/bg/3.1/bglib64/ -L$IBM_MAIN_DIR/xlmass/bg/7.3/bglib64/"
	INCLUDES="-I$BGQ_ESSL/include"
	AR='ar'
	CXX=mpixlcxx_r
	CXXFLAGS='-qsmp=omp -g -O2 -qarch=qp -qtune=qp -qsimd=auto -qhot=level=1 -qprefetch -qunroll=yes -qreport'
	DEFS='-DBGQ -D_POSIX_C_SOURCE=200112L -D__STDC_LIMIT_MACROS -Drestrict='
	WARN=''
	OPT=''

else
	#
	# Check for other common architectures (just Linux for now)
	#
	host=linux
	echo 'Hostname not recognized, assuming generic Linux host'
	if [ "x$CXX" = "x" ]; then
		CXX=mpicxx
	fi
	
	realcompiler
	defaultflags

  #
  # Check that compiler works without error
  #
  echo -n 'Checking compiler and flags... '
  if testcompiler 0; then
    echo 'successful.'
  else
    echo 'FAILED! error below:'
    echo
    testcompiler 1;
    echo
    exit 1
  fi

  #
  # Find BLAS/LAPACK if not already specified
  #
  if [ "x$BLASLIBS" = "x" ]; then
    if ! testlink '' dgemm_ 0; then
      if ! testlink '' dgemm 0; then
        echo -n 'Checking for BLAS libraries...' 
        
        if testlink '-lblas' dgemm_ 0; then
          BLASLIBS='-lblas'
          echo 'BLAS found.'
        elif testlink '-lblas' dgemm 0; then
          BLASLIBS='-lblas'
          echo 'BLAS found.'
        else
          echo 'BLAS not found.'
          testlink '-lblas' dgemm_ 1
          exit 1
        fi
      fi
    fi
  fi
fi


PARAMS=$0
for PARAM in "$@"
do
  PARAMS="${PARAMS} '${PARAM}'"
done
echo $PARAMS > how-did-i-configure
#echo $0 $* > how-did-i-configure

#
# Parse command-line arguments
#
depstype=normal
echo "Parsing command-line arguments..."
while [ "x$1" != "x" ]; do
	case $1 in
		--blas=*)
			BLASLIBS="${1#--blas=}"
      echo "  BLAS specified as " $BLASLIBS
			;;
		--lapack=*)
			LAPACKLIBS="${1#--lapack=}"
      echo "  LAPACK specified as " $LAPACKLIBS
			;;
		--scalapack=*)
			SCALAPACKLIBS="${1#--scalapack=}"
      echo "  ScaLAPACK specified as " $SCALAPACKLIBS
			;;
		--elpa=*)
			ELPALIBS="${1#--elpa=}"
      echo "  ELPA specified as " $ELPALIBS
			;;
		--help)
			usage
			exit 0;
			;;
		CXX=*|\
		AR=*|\
		CXXFLAGS=*|\
		LDFLAGS=*|\
		WARN=*|\
		INCLUDES=*)
			eval "${1%%=*}=\"${1#*=}\""
			;;
		*)
			echo "WARNING: Unknown option \"$1\""
			usage
			exit 1
			;;
	esac
  shift
done
echo "  Using compile flags \"" $CXXFLAGS "\" and link flags \"" $LDFLAGS "\", override options by running configure with CXXFLAGS= and LDFLAGS=."

echo "done parsing compile flags."

echo -n 'Checking for C++11...'
if testcpp11 '' 0; then
  echo 'found C++11.'
  DEFS="$DEFS -DCPP11"
elif testcpp11 '-std=c++11' 0; then
  echo 'found C++11, building with -std=c++11 flag.'
  DEFS="$DEFS -DCPP11"
  CXXFLAGS="$CXXFLAGS -std=c++11"
else
  #testcpp11 '-std=c++11' 1
  echo 'did not find C++11, everything will build regardless.'
fi

#
# Determine BLAS/LAPACK naming convention
#
echo -n "Checking BLAS underscore convention..."
if testlink "$BLASLIBS" dgemm_ 0; then
  UNDERSCORE=1
  echo "with underscores."
else
  if testlink "$BLASLIBS" dgemm 0; then
    echo "without underscores."
    UNDERSCORE=0
  else
    testlink "$BLASLIBS" dgemm_ 1
	  echo 'ERROR: Could not link with BLAS.'
    exit 1
  fi
fi

if [ $UNDERSCORE = 1 ] ; then
  DGEMM=dgemm_
  DGELS=dgels_
  PDGEMM=pdgemm_
  DTPQRT=dtpqrt_
  ELPAEVP=elpa2_mp_solve_evp_real_2stage_
else
  DGEMM=dgemm
  DGELS=dgels
  PDGEMM=pdgemm
  DTPQRT=dtpqrt
  ELPAEVP=__elpa2_NMOD_solve_evp_real_2stage
fi

echo -n "Checking for LAPACK libraries..."
if [ "x$LAPACKLIBS" = "x" ]; then
  if ! testlink "$BLASLIBS" $DGELS 0; then
    
    echo -n 'looking for generic LAPACK (-llapack)...'
    if testlink "-llapack $BLASLIBS" $DGELS 0; then
      LAPACKLIBS='-llapack'
      echo 'LAPACK found.'
    else
      echo 'LAPACK not found.'
      testlink "-llapack $BLASLIBS" $DGELS 1
      exit 1
    fi
  else
    echo 'LAPACK present.'
  fi
else
  if ! testlink "$LAPACKLIBS $BLASLIBS" $DGELS 0; then
    echo "provided LAPACK libraries are disfunctional."
    testlink "$LAPACKLIBS $BLASLIBS" $DGELS 1;
    exit 1
  else
    echo "provided LAPACK libraries work."
  fi
fi

echo -n 'Checking whether ScaLAPACK is provided...'
if [ "x$SCALAPACKLIBS" = "x" ]; then
  if ! testlink "$LAPACKLIBS $BLASLIBS" $PDGEMM 0; then
	  echo -n 'looking for generic ScaLAPACK (-lscalapack)...'
		if testlink "-lscalapack $LAPACKLIBS $BLASLIBS" $PDGEMM 0; then
		  echo 'ScaLAPACK found, linking with -lscalapack.'
		  SCALAPACKLIBS='-lscalapack'
		  DEFS="$DEFS -DUSE_SCALAPACK"
    else
		  echo 'ScaLAPACK not found, ScaLAPACK-dependent components will not build.'
    fi
	else
	  echo 'ScaLAPACK found.'
	  DEFS="$DEFS -DUSE_SCALAPACK"
	fi
else
  if ! testlink "$SCALAPACKLIBS $BLASLIBS" $PDGEMM 0; then
    echo "provided ScaLAPACK libraries are dysfunctional."
    testlink "$SCALAPACKLIBS $BLASLIBS" $PDGEMM 1;
    exit 1
  else
    echo "provided ScaLAPACK libraries work."
    DEFS="$DEFS -DUSE_SCALAPACK"
  fi
fi

echo -n "Checking whether ELPA was provided (optional)..."
if ! testlink "$ELPALIBS $LAPACKLIBS $BLASLIBS" $ELPAEVP 0; then
  #testlink "$ELPALIBS $LAPACKLIBS $BLASLIBS" $ELPAEVP 1
	echo "did not find ELPA, ELPA benchmarks will not be built."
else
	echo "ELPA routines provided."
  DEFS="$DEFS -DUSE_ELPA"
fi


echo -n "Checking whether LAPACK has dtpqrt routine..."
if ! (testlink "$LAPACKLIBS $BLASLIBS" $DTPQRT 0); then
	echo 'LAPACK does not have TSQR routines, need LAPACK version 3.40+ to build CANDMC QR.'
  #testlink "$LAPACKLIBS $BLASLIBS" $DTPQRT 1
  DEFS="$DEFS -DLAPACKHASTSQR=0"
else 
	echo 'new LAPACK TSQR routine present.'
  DEFS="$DEFS -DLAPACKHASTSQR=1"
fi


cat > config.mk <<EOF
BLAS_LIBS   = $ELPALIBS $SCALAPACKLIBS $LAPACKLIBS $BLASLIBS

LDFLAGS     = $LDFLAGS
INCLUDES    = $INCLUDES

DEFS        = $DEFS -DFTN_UNDERSCORE=$UNDERSCORE

#uncomment below to enable performance profiling
DEFS       += -DPROFILE -DPMPI
#uncomment below to enable debugging
#DEFS       += -DDEBUG=1

AR          = $AR

CXX         = $CXX
CXXFLAGS    = $CXXFLAGS $WARN

EOF

echo 'Configure was successful.'