mirror of https://gitlab.com/QEF/q-e.git
635 lines
15 KiB
Plaintext
635 lines
15 KiB
Plaintext
AC_INIT(PWscf, 1.3.0, , pwscf)
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AC_REVISION(0.01)
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AC_PREREQ(2.57)
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# store variables from the environment (may be set or not)
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topdir=$TOPDIR
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cc=$CC
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cpp=$CPP
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cflags=$CFLAGS
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cppflags=$CPPFLAGS
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dflags=$DFLAGS
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f77=$F77
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f90=$F90
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fflags=$FFLAGS
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f90flags=$F90FLAGS
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ld=$LD
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ldflags=$LDFLAGS
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libs=$LIBS
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ar=$AR
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arflags=$ARFLAGS
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# configure for current directory by default
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if test "$topdir" = "" ; then topdir="`pwd`" ; fi
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# check system type (no cross-compilation for now)
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AC_CANONICAL_BUILD
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# check compiling environment
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case $build in
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*-pc-linux-* )
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is_linux=1
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try_f90="mpif90 ifort ifc pgf90 f90 mpif77 pgf77 f77 g77"
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try_ar="ar"
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try_arflags="ruv"
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try_dflags="-D__LINUX"
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;;
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*-ibm-aix* )
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is_aix=1
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try_f90="mpxlf90_r mpxlf90 xlf90 f90 xlf f77 g77"
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try_ar="ar"
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try_arflags="-X64 ruv"
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try_dflags="-D__AIX"
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;;
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mips-sgi-* )
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is_mips=1
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try_f90="f90 f77 g77"
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try_ar="ar"
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try_arflags="ruv"
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;;
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sparc-sun-* )
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is_sparc=1
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try_f90="mpf90 f90 mpf77 f77 g77"
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try_ar="ar"
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try_arflags="ruv"
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;;
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* )
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AC_MSG_WARN(unsupported architecture)
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problems="$problems\\
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unsupported architecture:\\
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$build\\"
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try_f90="f90"
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try_ar="ar"
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try_arflags="ruv"
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;;
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esac
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# check Fortran 90 compiler
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if test "$f90" = "" ; then f90="$try_f90" ; fi
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AC_PROG_F77($f90)
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f90=$F77
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case "$build:$f90" in
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*-pc-linux-*:pgf* )
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is_pgi=1
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try_cc="mpicc pgcc gcc cc icc"
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try_f77="mpif77 pgf77 $f90"
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;;
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*-pc-linux-*:ifort | *-pc-linux-*:ifc )
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# extract compiler version
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echo $ECHO_N "checking version of $f90... $ECHO_C"
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ifc_version=`$f90 -V 2>&1 | grep "Intel(R)"`
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version=`echo $ifc_version | awk '{print $8}'`
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echo "${ECHO_T}$version"
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is_ifc=1
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try_cc="icc gcc cc mpicc pgcc"
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try_f77="$f90"
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;;
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*-pc-linux-*:mpif* )
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# which compiler is actually under the hood?
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echo $ECHO_N "checking version of $f90... $ECHO_C"
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pgi_version=`$f90 -V 2>&1 | grep -e pgf`
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ifc_version=`$f90 -V 2>&1 | grep "Intel(R)"`
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if test "$pgi_version" != ""
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then
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name=`echo $pgi_version | awk '{print $1}'`
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version=`echo $pgi_version | awk '{print $2}'`
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echo "${ECHO_T}$name $version"
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is_pgi=1
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try_cc="mpicc pgcc gcc cc icc"
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try_f77="mpif77 pgf77 $f90"
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elif test "$ifc_version" != ""
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then
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version=`echo $ifc_version | awk '{print $8}'`
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echo "${ECHO_T}ifc $version"
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is_ifc=1
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try_cc="mpicc icc gcc cc pgcc"
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try_f77="$f90"
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else
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echo "${ECHO_T}unknown"
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try_cc="mpicc gcc cc pgcc icc"
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try_f77="mpif77 $f90"
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fi
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;;
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*-ibm-aix* )
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try_cc="mpcc_r mpcc xlc cc gcc"
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try_f77="mpxlf_r mpxlf xlf f77 $f90"
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;;
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mips-sgi-*:* )
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try_cc="cc gcc"
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try_f77="f77 $f90"
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;;
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sparc-sun-* )
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try_cc="mpcc cc gcc"
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try_f77="mpf77 f77 $f90"
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;;
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* )
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try_cc="cc gcc"
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try_f77="f77 $f90"
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;;
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esac
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# clear cached values
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unset F77 ac_cv_prog_ac_ct_F77 ac_cv_f77_compiler_gnu ac_cv_prog_f77_g
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# Fortran 77 compiler
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if test "$f77" = "" ; then f77="$try_f77" ; fi
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AC_PROG_F77($f77)
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f77=$F77
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# C compiler
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if test "$cc" = "" ; then cc="$try_cc" ; fi
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AC_PROG_CC($cc)
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cc=$CC
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# check whether the C and Fortran compilers are compatible
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case "$build:$cc:$f90" in
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# list supported combinations here
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*-ibm-aix*:mpcc_r:mpxlf*_r | *-ibm-aix*:mpcc:mpxlf* | \
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*-ibm-aix*:xlc:*xlf* | *-ibm-aix*:cc:*xlf* ) ;;
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*-pc-linux-*:*cc:mpif90 ) ;;
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*-pc-linux-*:pgcc:pgf90 ) ;;
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*-pc-linux-*:icc:ifc | *-pc-linux-*:gcc:ifc | \
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*-pc-linux-*:icc:ifort | *-pc-linux-*:gcc:ifort ) ;;
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mips-sgi-*:cc:f90 ) ;;
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# sparc-sun-*:mpcc:mpf90 | sparc-sun-*:cc:f90 ) ;;
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* )
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AC_MSG_WARN(unsupported C/Fortran compilers combination)
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problems="$problems\\
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unsupported C/Fortran compilers combination:\\
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CC=$cc, F77=$f77, F90=$f90\\"
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;;
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esac
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# check compilers flags
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case "$build:$f90" in
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*-pc-linux-* )
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if test $is_pgi
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then
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try_fflags="-fast -r8"
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try_f90flags="\$(FFLAGS)"
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try_fflags_noopt="-O0"
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try_cpp="cpp"
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try_ldflags=""
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try_dflags="$try_dflags -D__PGI"
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elif test $is_ifc
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then
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# extract integer part of version
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if test `echo $version | sed 's/\..*//'` -lt 7
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then
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# old versions of ifc require this stuff
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echo $ECHO_N "setting up ifc environment... $ECHO_C"
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pcl_ph="D3"
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pcl_pw="PH PP Gamma PWNC PWCOND pwtools $pcl_ph"
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pcl_modules="PW FPMD CPV flib $pcl_pw"
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pcl_dot=". Modules upftools $pcl_modules"
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for dir in $pcl_dot
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do
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echo work.pc > $topdir/$dir/intel.pcl
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done
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for dir in $pcl_modules
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do
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echo ../Modules/work.pc \
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>> $topdir/$dir/intel.pcl
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done
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for dir in $pcl_pw
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do
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echo ../PW/work.pc >> $topdir/$dir/intel.pcl
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done
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for dir in $pcl_ph
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do
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echo ../PH/work.pc >> $topdir/$dir/intel.pcl
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done
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echo "${ECHO_T}done"
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try_f90flags="\$(FFLAGS) -cl,./intel.pcl"
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else
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try_f90flags="\$(FFLAGS) -nomodule"
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fi
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try_fflags="-Vaxlib -O2 -tpp6"
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try_fflags_noopt="-O0"
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try_ldflags="-Vaxlib"
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try_dflags="$try_dflags -D__INTEL"
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pre_f_dflags="-fpp "
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have_cpp=1
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fi
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;;
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*-ibm-aix*:mpxlf* | *-ibm-aix*:xlf* )
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try_fflags="-q64 -qalias=noaryovrlp -O3 -qstrict \
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-qarch=auto -qtune=auto -qsuffix=cpp=f90 -qdpc -Q -qalias=nointptr"
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try_f90flags="\$(FFLAGS) -qfree=f90"
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try_fflags_noopt="-q64 -O0"
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try_ldflags="-q64"
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pre_f_dflags="-WF,"
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aix_flags=1
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have_cpp=1
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;;
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mips-sgi-*:f90 )
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try_fflags="-mips4 -64 -O2 -r10000 -r8"
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try_f90flags="\$(FFLAGS)"
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try_fflags_noopt="-mips4 -64 -O0"
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try_ldflags="-mips4 -64"
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try_dflags="-D__SGI -D__SGI64 -D__ORIGIN"
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pre_f_dflags="-cpp "
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have_cpp=1
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;;
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sparc-sun-*:mpf90 | sparc-sun-*:f90 )
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try_fflags="-fast -dalign -xchip=ultra3 -xarch=v8plusb \
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-xlic_lib=sunperf"
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try_f90flags="\$(FFLAGS)"
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try_fflags_noopt="-O0"
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try_cpp="fpp"
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try_ldflags=""
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try_dflags="-DSUN"
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;;
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*:g77 )
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try_fflags=""
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try_f90flags="\$(FFLAGS) -ff90 -ffree-form"
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try_fflags_noopt="-O0"
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try_ldflags=""
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;;
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* )
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try_fflags="-O"
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try_f90flags="\$(FFLAGS)"
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try_fflags_noopt="-O0"
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try_ldflags=""
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;;
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esac
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if test "$fflags" = "" ; then fflags=$try_fflags ; fi
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if test "$f90flags" = "" ; then f90flags=$try_f90flags ; fi
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if test "$fflags_noopt" = "" ; then fflags_noopt=$try_fflags_noopt ; fi
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echo setting FFLAGS... $fflags
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echo setting F90FLAGS... $f90flags
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case "$build:$cc" in
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*-pc-linux-*:mpicc )
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if test $is_pgi
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then
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try_cflags="-fast"
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c_ldflags=""
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elif test $is_ifc
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then
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try_cflags="-O3"
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c_ldflags="-Vaxlib"
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fi
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;;
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*-pc-linux-*:pgcc )
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try_cflags="-fast"
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c_ldflags=""
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;;
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*-pc-linux-*:icc )
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try_cflags="-O3"
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c_ldflags="-Vaxlib"
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;;
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*-ibm-aix*:mpcc_r | *-ibm-aix*:mpcc | *-ibm-aix*:xlc | *-ibm-aix*:cc )
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try_cflags="-q64 -O2"
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c_ldflags="-q64"
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pre_dflags="-Wp,"
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aix_flags=1
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;;
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mips-sgi-*:cc )
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try_cflags="-mips4 -64 -O2 -r10000"
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;;
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sparc-sun-*:mpcc | sparc-sun-*:cc )
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try_cflags="-fast -dalign -xchip=ultra3 -xarch=v8plusb \
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-xlic_lib=sunperf"
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;;
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*:gcc )
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try_cflags="-O3 -fomit-frame-pointer"
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;;
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* )
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try_cflags="-O"
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;;
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esac
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if test "$cflags" = "" ; then cflags=$try_cflags ; fi
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echo setting CFLAGS... $cflags
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# preprocessor
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AC_PROG_CPP
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if test "$cpp" = "" ; then cpp=$try_cpp; fi
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if test "$cpp" = "" ; then cpp=$CPP; fi
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echo $ECHO_N "setting CPPFLAGS... $ECHO_C"
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case $cpp in
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cpp) try_cppflags="-P -traditional" ;;
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fpp) try_cppflags="-P" ;;
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*) try_cppflags="" ;;
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esac
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if test "$cppflags" = "" ; then cppflags=$try_cppflags ; fi
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echo "${ECHO_T}$cppflags"
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# linker and archiver (no tests)
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if test "$ld" = "" ; then ld="$f90" ; fi
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if test "$ldflags" = "" ; then ldflags="$try_ldflags" ; fi
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if test "$ar" = "" ; then ar="$try_ar" ; fi
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if test "$arflags" = "" ; then arflags="$try_arflags" ; fi
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echo setting LD... $ld
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echo setting LDFLAGS... $ldflags
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echo setting AR... $ar
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echo setting ARFLAGS... $arflags
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# compilation rules
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echo $ECHO_N "checking whether Fortran files must be preprocessed... $ECHO_C"
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if test $have_cpp
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then
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f90rule="\$(F90) \$(F90FLAGS) \$(MODULEFLAG) -c \$<"
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echo "${ECHO_T}no"
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else
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f90rule="\$(CPP) \$(CPPFLAGS) \$*.f90 \$*.F90 \\
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\$(F90) \$(F90FLAGS) \$(MODULEFLAG) -c \$*.F90 -o \$*.o"
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echo "${ECHO_T}yes"
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fi
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# compilation flags for all subsequent tests
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# remove all $(...) because at least one compiler doesn't like them
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# but if f90flags contains $(FFLAGS), substitute it
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test_cflags="`echo $cflags | sed 's/\$([[^)]]*)//g'`"
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test_cppflags="$test_cflags"
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if test "`echo $f90flags | grep '$(FFLAGS)'`" != ""
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then
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test_fflags="`echo $fflags $f90flags | sed 's/\$([[^)]]*)//g'`"
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else
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test_fflags="`echo $f90flags | sed 's/\$([[^)]]*)//g'`"
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fi
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test_ldflags="`echo $ldflags | sed 's/\$([[^)]]*)//g'`"
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AC_LANG_PUSH(Fortran 77)
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F77=$f90 # use Fortran 90 actually (autoconf doesn't know about that!)
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# search for libraries (unless LIBS has been set from the environment)
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if test "$libs" = ""
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then
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# use vendor libraries if available
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if test $is_aix
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then
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# check for mass (in several directories)
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libpath="/usr/local/lib /cineca/lib/mass"
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for try_libdir in none $libpath
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do
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unset ac_cv_search_vexp # clear cached value
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if test "$try_libdir" = "none"
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then
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try_loption=
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else
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echo $ECHO_N "in $try_libdir: " $ECHO_C
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try_loption="-L$try_libdir"
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fi
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FFLAGS="$test_fflags"
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LDFLAGS="$test_ldflags $try_loption"
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LIBS="$libs"
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AC_SEARCH_LIBS(vexp, massvp4 massv,
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libs="$try_loption $ac_cv_search_vexp \
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-lmass $libs", , -lmass)
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if test "$ac_cv_search_vexp" != "no" ; then break ; fi
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done
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# check for essl
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FFLAGS="$test_fflags"
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LDFLAGS="$test_ldflags"
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LIBS="$libs"
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AC_SEARCH_LIBS(dcft, essl, have_fft=1 have_essl=1
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libs="$LIBS")
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elif test $is_linux
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then
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# check for mkl (in several directories)
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libpath="/usr/local/lib /opt/intel/mkl/mkl61/lib/32
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/opt/intel/mkl/lib/32"
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for try_libdir in none $libpath
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do
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unset ac_cv_search_zhegv # clear cached value
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if test "$try_libdir" = "none"
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then
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try_loption=
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else
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echo $ECHO_N "in $try_libdir: " $ECHO_C
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try_loption="-L$try_libdir"
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fi
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FFLAGS="$test_fflags"
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LDFLAGS="$test_ldflags $try_loption"
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LIBS="$libs"
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AC_SEARCH_LIBS(zhegv, mkl_lapack,
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have_blas=1 have_lapack=1
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libs="$try_loption \
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$ac_cv_search_zhegv -lmkl_ia32 -lguide $libs", , -lmkl_ia32 -lguide)
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if test "$ac_cv_search_zhegv" != "no"
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then break ; fi
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done
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elif test $is_mips
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then
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# check for complib.sgimath
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FFLAGS="$test_fflags"
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LDFLAGS="$test_ldflags"
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LIBS="$libs"
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AC_SEARCH_LIBS(dgemm, complib.sgimath, have_blas=1
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libs="$LIBS")
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fi
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if ! test $have_fft
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then
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AC_LANG_PUSH(C)
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# check for fftw (in several directories)
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libpath="/usr/local/lib /cineca/lib"
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for try_libdir in none $libpath
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do
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unset ac_cv_search_fftwnd # clear cached value
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if test "$try_libdir" = "none"
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then
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try_loption=
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else
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echo $ECHO_N "in $try_libdir: " $ECHO_C
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try_loption="-L$try_libdir"
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fi
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CFLAGS="$test_cflags"
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CPPFLAGS="$test_cppflags"
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LDFLAGS="$c_ldflags $try_loption"
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LIBS="$libs"
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AC_SEARCH_LIBS(fftwnd, fftw, have_fftw=1
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libs="$try_loption $LIBS")
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if test "$ac_cv_search_fftwnd" != "no"
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then break ; fi
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done
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AC_LANG_POP(C)
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fi
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if ! test $have_blas
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then
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# check for blas
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FFLAGS="$test_fflags"
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LDFLAGS="$test_ldflags"
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LIBS="$libs"
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AC_SEARCH_LIBS(dgemm, atlas blas, have_blas=1 libs="$LIBS")
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fi
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if ! test $have_lapack
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then
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# check for lapack (in several directories)
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libpath="/usr/local/lib /usr/local/pgi/linux86/lib \
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/cineca/lib"
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for try_libdir in none $libpath
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do
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unset ac_cv_search_zhegv # clear cached value
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if test "$try_libdir" = "none"
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then
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try_loption=
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else
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echo $ECHO_N "in $try_libdir: " $ECHO_C
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try_loption="-L$try_libdir"
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|
fi
|
|
FFLAGS="$test_fflags"
|
|
LDFLAGS="$test_ldflags $try_loption"
|
|
LIBS="$libs"
|
|
AC_SEARCH_LIBS(zhegv, lapack, have_lapack=1
|
|
libs="$try_loption $LIBS")
|
|
if test "$ac_cv_search_zhegv" != "no"
|
|
then break ; fi
|
|
done
|
|
fi
|
|
# essl must precede lapack (if present)
|
|
if test $have_essl && test $have_lapack
|
|
then libs="-lessl $libs" ; fi
|
|
|
|
# check for mpi
|
|
LDFLAGS="$test_ldflags"
|
|
LIBS="$libs"
|
|
AC_SEARCH_LIBS(mpi_init, mpi, libs="$LIBS")
|
|
fi
|
|
echo setting LIBS... $libs
|
|
|
|
# final checks on available libraries
|
|
FFLAGS="$test_fflags"
|
|
LDFLAGS="$test_ldflags"
|
|
LIBS="$libs"
|
|
|
|
AC_SEARCH_LIBS(mpi_init, "", parallel=1
|
|
try_dflags="$try_dflags -D__MPI -D__PARA")
|
|
|
|
if test "`echo $libs | grep mkl`" != "" ; then mylibs="lapack_mkl" ; fi
|
|
AC_SEARCH_LIBS(zhegv, "", , mylibs="blas_and_lapack")
|
|
|
|
AC_SEARCH_LIBS(zhegvx, "", try_dflags="$try_dflags -DHAS_ZHEGVX")
|
|
AC_SEARCH_LIBS(vexp, "", try_dflags="$try_dflags -D__MASS")
|
|
|
|
if test $is_aix
|
|
then
|
|
AC_SEARCH_LIBS(dcft, "", have_fft=1)
|
|
fi
|
|
|
|
AC_LANG_PUSH(C)
|
|
|
|
if ! test $have_fft
|
|
then
|
|
try_dflags="$try_dflags -D__FFTW"
|
|
|
|
CFLAGS="$test_cflags"
|
|
LDFLAGS="$c_ldflags"
|
|
AC_SEARCH_LIBS(fftwnd, "", have_fft=1 want_fftw_h=1)
|
|
fi
|
|
|
|
# find location of fftw.h (if needed)
|
|
if test $want_fftw_h
|
|
then
|
|
includepath="/usr/local/include /cineca/lib/fftw-2.1.3/fftw"
|
|
for try_includedir in none $includepath
|
|
do
|
|
unset ac_cv_header_fftw_h # clear cached value
|
|
if test "$try_includedir" = "none"
|
|
then
|
|
try_ioption=
|
|
else
|
|
echo $ECHO_N "in $try_includedir: " $ECHO_C
|
|
try_ioption="-I$try_includedir"
|
|
fi
|
|
CFLAGS="$test_cflags $try_ioption"
|
|
CPPFLAGS="$test_cppflags $try_ioption"
|
|
LDFLAGS="$c_ldflags"
|
|
LIBS="$libs"
|
|
AC_CHECK_HEADER(fftw.h, unset want_fftw_h
|
|
ifftw="$try_ioption")
|
|
if test "$ac_cv_header_fftw_h" != "no" ; then break ; fi
|
|
done
|
|
fi
|
|
|
|
if ! test $have_fft || test $want_fftw_h
|
|
then
|
|
try_dflags="$try_dflags -D__USE_INTERNAL_FFTW"
|
|
fi
|
|
|
|
AC_LANG_POP(C)
|
|
AC_LANG_POP(Fortran 77)
|
|
|
|
# AIX compilers want comma-separated -D directives
|
|
if test "$dflags" = "" ; then dflags="$try_dflags" ; fi
|
|
if test $aix_flags ; then dflags="`echo $dflags | sed 's/ */,/g'`" ; fi
|
|
echo setting DFLAGS... $dflags
|
|
echo setting MYLIBS... $mylibs
|
|
|
|
# generate dependencies
|
|
if test -x $topdir/makedeps.sh
|
|
then
|
|
echo $ECHO_N "checking module dependencies... $ECHO_C"
|
|
( cd $topdir ; ./makedeps.sh )
|
|
echo "${ECHO_T}done"
|
|
fi
|
|
|
|
# check sizes of types (not really needed)
|
|
CFLAGS="$test_cflags"
|
|
CPPFLAGS="$test_cppflags"
|
|
LDFLAGS="$c_ldflags"
|
|
LIBS=""
|
|
AC_CHECK_SIZEOF(int)
|
|
AC_CHECK_SIZEOF(long)
|
|
AC_CHECK_SIZEOF(float)
|
|
AC_CHECK_SIZEOF(double)
|
|
AC_CHECK_SIZEOF(char)
|
|
AC_CHECK_SIZEOF(void *)
|
|
|
|
# export settings to generated files
|
|
AC_SUBST(topdir)
|
|
AC_SUBST(cc)
|
|
AC_SUBST(cflags)
|
|
AC_SUBST(dflags)
|
|
AC_SUBST(pre_dflags)
|
|
AC_SUBST(cpp)
|
|
AC_SUBST(cppflags)
|
|
AC_SUBST(f77)
|
|
AC_SUBST(f90)
|
|
AC_SUBST(fflags)
|
|
AC_SUBST(f90flags)
|
|
AC_SUBST(fflags_noopt)
|
|
AC_SUBST(pre_f_dflags)
|
|
AC_SUBST(ifftw)
|
|
AC_SUBST(ld)
|
|
AC_SUBST(ldflags)
|
|
AC_SUBST(libs)
|
|
AC_SUBST(mylibs)
|
|
AC_SUBST(ar)
|
|
AC_SUBST(arflags)
|
|
AC_SUBST(f90rule)
|
|
|
|
AC_CONFIG_FILES(make.sys make.rules)
|
|
|
|
AC_OUTPUT
|
|
|
|
# final warnings
|
|
if ! test $parallel
|
|
then
|
|
echo ----------------------------------------------
|
|
echo WARNING: parallel environment not available
|
|
echo this program will run in single-processor mode
|
|
echo ----------------------------------------------
|
|
fi
|
|
|
|
if test "$problems" != ""
|
|
then
|
|
echo ----------------------------------------------
|
|
echo WARNING: the following problems were detected:
|
|
echo $problems | tr \\\\ \\n
|
|
echo you may not be able to compile this program
|
|
echo ----------------------------------------------
|
|
fi
|