#!/usr/bin/perl -w

#  cycle through fortran files, determine which headers are included;
#      the "used" array eliminates duplicate enties

#  for LES, PUPIL and APBS programs, add these dependencies as well 
#      to the list

#  Be sure do to a "make clean" before running this script!
#      (probably not really needed, but better safe than sorry)

printf <<EOF;
#
#   Please do not edit the "depend" file directly, since it is created by the
#   "makedepend" script.  If changes are needed, edit "makedepend" itself.
#
EOF

$LES{"multisander"} = $LES{"rdparm"} = $LES{"mdread"} = $LES{"r6ave"} = $LES{"parallel" } =
	$LES{"jnrg"} = $LES{"ene"} = $LES{"locmem"} = $LES{"ew_force"} = $LES{"ew_setup"} =
	$LES{"ew_direct"} = $LES{"enb"} = $LES{"egb"} = $LES{"pimd_verlet"} =
	$LES{"force"} = $LES{"dynlib"} = $LES{"extra_pts"} = $LES{"short_ene"} =
	$LES{"degcnt"} = $LES{"sander"} = $LES{"nmr"} = $LES{"runmd"} =
	$LES{"ew_recip"} = $LES{"egb"} = $LES{"pimd_init"} = $LES{"cmd_init"}= 
	$LES{"cmd_matrix"} = $LES{"nonbond_list"} = $LES{"evb_input"} =
	$LES{"evb_alloc"} = $LES{"evb_matrix"} = $LES{"morsify"} =
	$LES{"mod_vdw"} = $LES{"evb_ntrfc"} = $LES{"evb_force"} =
	$LES{"evb_umb"} = $LES{"evb_pimd_init"} = $LES{"pimd_force"} = 
	$LES{"evb_umb_primitive"} = $LES{"out_evb"} = $LES{"remd"} = 
        $LES{"bintraj"} =  $LES{"binrestart"} =  $LES{"getcor"} =  $LES{"mdfil"} =  
        $LES{"mdwrit"} =  $LES{"qm2_extern_module"} =  
        $LES{"lmod"} =  $LES{"trajene"} =  $LES{"ew_box"} =  $LES{"minrit"} =  
        $LES{"set"} =  $LES{"qm_mm"} = 
  1;

$PUPIL{"sander"} = $PUPIL{"force"} = $PUPIL{"mexit"} = $PUPIL{"mdfil"} = 
	$PUPIL{"mdread"} = $PUPIL{"printe"} = $PUPIL{"dynlib"} = 1;

$APBS{"apbs"} = $APBS{"apbs_vars"} = $APBS{"dynlib"} = $APBS{"force"} =
	$APBS{"mdread"} = $APBS{"printe"} = $APBS{"sander"} = $APBS{"file_io_dat"} = 1;

#The following files only appear in SANDER and not any of the special builds
#$RISM{"../rism/amber_rism_interface.SANDER"} = 1;

#  in order to get a mapping between module names and file names, we have
#  have to set up the following hash. 
#  (special cases, since source is elsewhere)
#  (check also below  (end of this file) for "compilation" rules)
$modulefile{"netcdf"} = "netcdf";
$modulefile{"AmberNetcdf_mod"} = "AmberNetcdf";
$modulefile{"ElementOrbitalIndex"} = "elementOrbitalIndex";
$modulefile{"qmmm_module"} = "qmmm_module";
$modulefile{"qmmm_nml_module"} = "qmmm_nml_module";
$modulefile{"qmmm_qmtheorymodule"} = "qmmm_qmtheorymodule";
$modulefile{"qmmm_struct_module"} = "qmmm_struct_module";
$modulefile{"qmmm_vsolv_module"} = "qmmm_vsolv_module";
$modulefile{"sander_rism_interface"} = "../rism/amber_rism_interface.SANDER";
$modulefile{"poisson_boltzmann"} = "poisson_boltzmann";
$modulefile{"dispersion_cavity"} = "dispersion_cavity";
$modulefile{"pbtimer_module"} = "pbtimer_module";
$modulefile{"UtilitiesModule"} = "utilitiesmodule";

foreach $file ( <*.F90> ){
	next if $file =~ /^_/;
    next if $file =~ /xray/;
	($fileroot) = $file =~ /(.+)\.F90$/;
	$optimized{$fileroot} = 0;
	open( F, "$file" ) || die "unable to open $file\n";
	while( <F> ){
		if( /^ *module /i ){
			($head,$modulename) = /( *[Mm][Oo][Dd][Uu][Ll][Ee]) +(\w*)/;
			$modulefile{$modulename} = $fileroot;
#			printf STDERR "modulefile:  $modulename  $fileroot\n";
		}
		if( /compile=optimized/ ){
			$optimized{$fileroot} = 1;
		}
	}
	close( F );
}

#  Now, cycle over all source files to create the compilation rules and 
#  dependencies.  Check for "compile=optimized" comments and do the right 
#  thing:

foreach $file ( <*.F90> ){

	next if $file =~ /^_/;
    next if $file =~ /xray/;

	$deps = $depsLES = $depsPUPIL = $depsAPBS = "";

	($fileroot) = $file =~ /(.+)\.F90$/;

	#  construct the header and module dependency rules:

	open( F, "$file" ) || die "unable to open $file\n";
	while( <F> ){

		if( /^ *use / ){
			($head,$usee) = /( *use) +(\w*)/;
#			printf STDERR "     usee: $usee; modulefile is $modulefile{$usee}\n";
            next if $usee =~ /xray/;
            
			if( !defined $modulefile{$usee} ){
				printf STDERR "No file name associated with module $usee\n";
				exit(1);
			}
			if( !defined $used{ $fileroot,$modulefile{$usee} } ){

				#  remove any circular references:
				next if $fileroot eq $modulefile{$usee};

                                $deps .= "\\\n                    " . $modulefile{$usee} .  ".o" ;
                                if( defined $LES{$modulefile{$usee}} ){
                                  $depsLES .= "\\\n                    " . $modulefile{$usee} .  ".LES.o" ;
                                } else {
                                  $depsLES .= "\\\n                    " . $modulefile{$usee} .  ".o" ;
                                }
                                
                                if( defined $PUPIL{$modulefile{$usee}} ){
                                  $depsPUPIL .= "\\\n                    " . $modulefile{$usee} .  ".PUPIL.o" ;
                                } else {
                                  $depsPUPIL .= "\\\n                    " . $modulefile{$usee} .  ".o" ;
                                }
                                
                                if( defined $APBS{$modulefile{$usee}} ){
                                  $depsAPBS .= "\\\n                    " .  $modulefile{$usee} .  ".APBS.o" ;
                                } else {
                                  $depsAPBS .= "\\\n                    " . $modulefile{$usee} .  ".o" ;
                                }

				$used{ $fileroot,$modulefile{$usee} } = 1;
			}
		}
		if (/^# *include/) {
			($head,$included) = /(# *include) +"(.*)"/;
			next if $included eq "mpif.h";
			next if $included eq "timer.h";
			if( !defined $used{ $fileroot,$included } ){
				$deps .= "\\\n                    " . $included ;
				$depsLES .= "\\\n                    " . $included ;
				$depsPUPIL .= "\\\n                    " . $included ;
				$depsAPBS .= "\\\n                    " . $included ;
				$used{ $fileroot,$included } = 1;
			}
		}
	}
	printf "$fileroot.o: $deps\n\n" unless $deps eq "";

	#  construct the compilation rules:

	printf "\n$fileroot.o:   $fileroot.F90\n";
	if( $optimized{$fileroot} ){
		printf "\t\$(FC) \$(FPPFLAGS) -c \$(FOPTFLAGS) \$(FFLAGS) \$(AMBERFFLAGS) \$(RISMSANDER) -o \$@ $fileroot.F90\n\n";
	} else {
		printf "\t\$(FC) \$(FPPFLAGS) -c \$(FNOOPTFLAGS) \$(FFLAGS) \$(AMBERFFLAGS) \$(RISMSANDER) -o \$@ $fileroot.F90\n\n";
	}
	if( defined $LES{$fileroot} ){
		printf "$fileroot.LES.o: $depsLES\n" unless $depsLES eq "";
		printf "\n$fileroot.LES.o:   $fileroot.F90\n";
		if( $optimized{$fileroot} ){
			printf "\t\$(FC) \$(FPPFLAGS) -DLES -c \$(FOPTFLAGS) \$(FFLAGS) \$(AMBERFFLAGS) \$(RISMSANDER) -o \$@ $fileroot.F90\n\n";
		} else {
			printf "\t\$(FC) \$(FPPFLAGS) -DLES -c \$(FNOOPTFLAGS) \$(FFLAGS) \$(AMBERFFLAGS) \$(RISMSANDER) -o \$@ $fileroot.F90\n\n";
		}
	}
	if( defined $PUPIL{$fileroot} ){
		printf "$fileroot.PUPIL.o: $depsPUPIL\n" unless $depsPUPIL eq "";
		printf "\n$fileroot.PUPIL.o:   $fileroot.F90\n";
		if( $optimized{$fileroot} ){
			printf "\t\$(FC) \$(FPPFLAGS) -DPUPIL_SUPPORT -c \$(FOPTFLAGS) \$(FFLAGS) \$(AMBERFFLAGS) \$(RISMSANDER) -o \$@ $fileroot.F90\n\n";
		} else {
			printf "\t\$(FC) \$(FPPFLAGS) -DPUPIL_SUPPORT -c \$(FNOOPTFLAGS) \$(FFLAGS) \$(AMBERFFLAGS) \$(RISMSANDER) -o \$@ $fileroot.F90\n\n";
		}
	}
	if( defined $APBS{$fileroot} ){
		printf "$fileroot.APBS.o: $depsAPBS\n" unless $depsAPBS eq "";
		printf "\n$fileroot.APBS.o:   $fileroot.F90\n";
		if( $optimized{$fileroot} ){
			printf "\t\$(FC) \$(FPPFLAGS) -DAPBS -c \$(FOPTFLAGS) \$(FFLAGS) \$(AMBERFFLAGS) \$(RISMSANDER) -o \$@ $fileroot.F90\n\n";
		} else {
			printf "\t\$(FC) \$(FPPFLAGS) -DAPBS -c \$(FNOOPTFLAGS) \$(FFLAGS) \$(AMBERFFLAGS) \$(RISMSANDER) -o \$@ $fileroot.F90\n\n";
		}
	}
}

# special "compilation rule" for netcdf.o
printf "netcdf.o:  \$(NETCDF)\n\ttest -e \$\@ || touch netcdf.o\n\n";

# special compilation rule for AmberNetcdf.o
printf "AmberNetcdf.o: ../lib/AmberNetcdf.F90\n";
printf "\t\$(FC) \$(FPPFLAGS) -c \$(FREEFORMAT_FLAG) \$(FOPTFLAGS) \$(FFLAGS) -o AmberNetcdf.o ../lib/AmberNetcdf.F90\n\n";

#  special compilation rule for amber_rism_interface
print "../rism/amber_rism_interface.SANDER.o: ../rism/amber_rism_interface.F90\n"
  ."\tcd ../rism && \\\n"
  ."\tif [ -n \"\$(RISMSANDER)\" ]; then \\\n"
  ."\t\t\$(MAKE) amber_rism_interface.SANDER.o; \\\n"
  ."\telse \\\n"
  ."\t\ttest -e amber_rism_interface.SANDER.o || touch amber_rism_interface.SANDER.o; \\\n"
  ."\tfi\n\n"
  ;

print "poisson_boltzmann.o:  libpbsa file_io_dat.o \n\ttest -e \$\@ || touch \$\@\n\n";
print "dispersion_cavity.o:  libpbsa\n\ttest -e \$\@ || touch \$\@\n\n";
print "pbtimer_module.o:  libpbsa\n\ttest -e \$\@ || touch \$\@\n\n";


#  special "compilation" rule for module object files in ../sqm
print "qmmm_module.o: libsqm \n\ttest -e \$\@ || touch \$\@\n\n";
print "qmmm_nml_module.o:  libsqm \n\ttest -e \$\@ || touch \$\@\n\n";
print "qmmm_qmtheorymodule.o:  libsqm \n\ttest -e \$\@ || touch \$\@\n\n";
print "qmmm_struct_module.o:  libsqm \n\ttest -e \$\@ || touch \$\@\n\n";
print "qmmm_vsolv_module.o:  libsqm \n\ttest -e \$\@ || touch \$\@\n\n";
print "elementOrbitalIndex.o:  libsqm \n\ttest -e \$\@ || touch \$\@\n\n";
print "utilitiesmodule.o:  libsqm \n\ttest -e \$\@ || touch \$\@\n\n";