quantum-espresso/install/makedeps.sh

#!/bin/sh
# compute dependencies for the PWscf directory tree

# make sure there is no locale setting creating unneeded differences.
LC_ALL=C
export LC_ALL
# ensure that command echo understands escape characters
if test "`echo -e`" = "-e" ; then ECHO=echo ; else ECHO="echo -e" ; fi

# run from directory where this script is
cd `dirname $0`
TOPDIR=`pwd`

if test $# = 0
then
# this is the list of all directories for which we want to find dependencies
# upon include files *.h or *.fh or modules. Note that libraries that are 
# externally maintained should not go into this list

    dirs=" LAXlib FFTXlib/src UtilXlib \
           dft-d3 \
           KS_Solvers/Davidson KS_Solvers/Davidson_RCI KS_Solvers/CG \
	   KS_Solvers/PPCG KS_Solvers/ParO  KS_Solvers/DENSE  KS_Solvers/RMM \
           upflib XClib Modules LR_Modules PW/src CPV/src PW/tools PP/src PWCOND/src \
           PHonon/Gamma PHonon/PH PHonon/FD HP/src atomic/src \
           EPW/src EPW/ZG/src XSpectra/src NEB/src TDDFPT/src \
           GWW/pw4gww GWW/gww GWW/head GWW/bse GWW/simple \
	   GWW/simple_bse GWW/simple_ip QEHeat/src KCW/src KCW/PP "
          
elif
    test $1 = "-addson" 
then
    echo "The script for adding new dependencies is running"
    echo "Usage: $0 -addson DIR DEPENDENCY_DIRS"
    echo "$0 assumes that the new dependencies are in $TOPDIR/../"
    dirs=$2
    shift
    shift
    add_deps=$*
    echo "dependencies in $add_deps will be searched for $dirs"
else
    dirs=$*
fi


for dir in $dirs; do

    # the following command removes a trailing slash
    DIR=`echo ${dir%/}`

    # the following would also work
    #DIR=`echo $dir | sed "s,/$,,"`

    # set inter-directory dependencies - only directories containing
    # modules that are used, or files that are included, by routines
    # in directory DIR should be listed in DEPENDS
    # (directory DIR itself should not be listed in DEPENDS)
    LEVEL1=..
    LEVEL2=../..
    LEVEL3=../../..
    # default
    DEPENDS="$LEVEL1/include" 
    # for convenience, used later
    DEPEND1="$LEVEL1/include $LEVEL1/FFTXlib/src $LEVEL1/XClib $LEVEL1/LAXlib \
	     $LEVEL1/UtilXlib $LEVEL1/upflib"
    DEPEND3="$LEVEL2/include $LEVEL2/FFTXlib/src $LEVEL2/LAXlib $LEVEL2/UtilXlib"
    DEPEND2="$DEPEND3 $LEVEL2/upflib $LEVEL2/XClib $LEVEL2/Modules"
    case $DIR in 
        upflib )
             DEPENDS="$LEVEL1/include $LEVEL1/UtilXlib" ;;
        XClib )
             DEPENDS="$LEVEL1/include $LEVEL1/upflib" ;;
        Modules )
             DEPENDS="$DEPEND1" ;;
        dft-d3 )
             DEPENDS="$LEVEL1/include $LEVEL1/UtilXlib $LEVEL1/Modules" ;;
        LR_Modules )
             DEPENDS="$DEPEND1 $LEVEL1/Modules $LEVEL1/PW/src" ;;
	ACFDT/src ) 
             DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/PHonon/PH $LEVEL2/LR_Modules" ;;
	atomic/src | GWW/gww )
	     DEPENDS="$DEPEND2" ;;
	PW/src | CPV/src )
	     DEPENDS="$DEPEND2 $LEVEL2/KS_Solvers/Davidson $LEVEL2/KS_Solvers/CG $LEVEL2/KS_Solvers/PPCG $LEVEL2/KS_Solvers/ParO $LEVEL2/KS_Solvers/DENSE $LEVEL2/KS_Solvers/RMM $LEVEL2/dft-d3" ;;
	KS_Solvers/Davidson | KS_Solvers/Davidson_RCI | KS_Solvers/CG | KS_Solvers/PPCG | KS_Solvers/ParO | KS_Solvers/DENSE | KS_Solvers/RMM )
	     DEPENDS="$DEPEND3" ;;
	PP/src )
	     DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/dft-d3" ;;
	PW/tools | PWCOND/src | GWW/pw4gww | NEB/src )
	     DEPENDS="$DEPEND2 $LEVEL2/PW/src" ;;
	PHonon/PH )
	     DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/LR_Modules $LEVEL2/dft-d3" ;;
	PHonon/FD | PHonon/PH | PHonon/Gamma | HP/src | TDDFPT/src | XSpectra/src  | GIPAW/src | KCW/src )
	     DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/LR_Modules" ;;
	KCW/PP )
	     DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/LR_Modules $LEVEL1/src" ;;
	EPW/src | QEHeat/src )
	     DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/LR_Modules $LEVEL2/PHonon/PH $LEVEL2/Modules" ;;
	EPW/ZG/src )
	     DEPENDS="$LEVEL3/PW/src $LEVEL3/LR_Modules $LEVEL3/PHonon/PH $LEVEL3/Modules $LEVEL3/upflib $LEVEL3/UtilXlib" ;;
	GWW/head )
	     DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/PHonon/PH $LEVEL2/LR_Modules" ;;	
	GWW/bse )
	     DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/PHonon/PH $LEVEL2/LR_Modules $LEVEL2/GWW/pw4gww $LEVEL2/GWW/gww" ;;
	GWW/simple )
	     DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/GWW/pw4gww $LEVEL2/GWW/gww" ;;
	GWW/simple_bse )
	     DEPENDS="$DEPEND2 $LEVEL2/GWW/gww" ;;
	GWW/simple_ip)
	     DEPENDS="$DEPEND2" ;;
    *)
# if addson needs a make.depend file
	DEPENDS="$DEPENDS $add_deps"

    esac

    # list of all system modules
    sysdeps="iso_c_binding iso_fortran_env f90_unix_io f90_unix_env \
             f90_unix_proc ifcore ifport git-rev.h"

    # list of all external library modules or include files
    libdeps="mpi omp_lib hdf5 mkl_dfti mkl_dfti.f90 fftw3.f03 fftw3.f \
             xc_version.h xc_f03_lib_m elpa elpa1 \
             mbd w90_io fox_dom fox_wxml m_common_io \
             device_fbuff_m device_memcpy_m device_auxfunc_m"

    # list of all cuda-related modules
    cudadeps="cublas cudafor curand cufft flops_tracker cusolverdn \
              zhegvdx_gpu dsyevd_gpu dsygvdx_gpu eigsolve_vars     \
              nvtx_inters"

    # generate dependencies file (only for directories that are present)

    if test -d $TOPDIR/../$DIR
    then
	cd $TOPDIR/../$DIR
       
cat > make.depend << EOF
#####################################################################
# Automatically generated file - if you notice lines looking like
# some_file.o: @some_module@ 
# figure out why "some_module", referenced in "some_file.o", is not 
# found: check spelling, presence in one of the DEPEND* directories
# as defined in file "install/makedeps.sh"; if "some_module" is an 
# external module, add it to the module lists "sysdeps", "libdeps",
# "cudadeps" defined in "install/makedeps.sh".
# Finally, from the top QE directory, run "make depend" to regenerate
# the files - DO NOT EDIT MANUALLY (unless you know what you are doing)
####################################################################
EOF
	$TOPDIR/moduledep.sh $DEPENDS >> make.depend
	$TOPDIR/includedep.sh $DEPENDS >> make.depend

        # remove unwanted dependency upon system and library modules
	for no_dep in $sysdeps $libdeps $cudadeps; do
            echo "/@$no_dep@/d" >> removedeps.tmp
	done
        sed -f removedeps.tmp make.depend  > tmp; mv tmp make.depend
	/bin/rm removedeps.tmp

        # check for missing dependencies 
	missing=`grep @ make.depend | grep -v @some_module@`
        if test "$missing" != "";
        then
	   notfound=1
	   $ECHO "\nWARNING! dependencies not found in directory $DIR:"
	   grep @ make.depend
	   $ECHO "File $DIR/make.depend is broken"
       else
           $ECHO -n "\rdirectory $DIR : ok"
       fi
    else
       $ECHO "\ndirectory $DIR : not present in $TOPDIR" 
    fi
done
if test "$notfound" = ""
then
    $ECHO "\nall dependencies updated successfully"
fi