#!/usr/bin/perl

if ($ARGV[0] eq 'help') {
   #Documentation
   print '
creates and populate a set of directory for a set of abinit linear response calculation

it requires 5 files:
qpts.abi   (which contains a list of N qpoints)
input0.abi (abinit input files for Gamma point)
input1.abi (abinit input file for any qpoint)
files.abi  (abinit files file)
run.abi   (condor submission script)

It then creates N directories : QPT_qx_qy_qz
and fill them with the relevant files: files.abi,run.abi,input.abi
'
} else {
open (FICHIER0, "qpts.abi");
@map0 = <FICHIER0>;
&trim(@map0);
open (FICHIER1, "run.abi");
@map1 = <FICHIER1>;
open (FICHIER2, "input1.abi");
@map2 = <FICHIER2>;

$diro = `pwd`;
chop($diro);

#--------------------------------------------------------
foreach $lign0 (@map0) {  # each qpoint
  $ind1++;
  @lis0=split(/ /,$lign0);
  $lis1[0]=int($lis0[0]*100)/100;
  $lis1[1]=int($lis0[1]*100)/100;
  $lis1[2]=int($lis0[2]*100)/100;

  print $lis0[0],'   ',$lis1[0],"\n";
  print $lis0[1],'   ',$lis1[1],"\n";
  print $lis0[2],'   ',$lis1[2],"\n";
  print "\n";

#  $nam0=QPT._.$lis0[0]._.$lis0[1]._.$lis0[2];
  $nam0=QPT._.$lis1[0]._.$lis1[1]._.$lis1[2];

  # create dir and copy easy files
  mkdir ($nam0, 0777);
#  system("cp *.pp $nam0/.");
  system("cp files.abi $nam0/.");

  # deal with run.abi
  @mapout=();
  foreach $lign1 (@map1) {
    if ($lign1=~ m/initial/) {
      push (@mapout,'initial_dir = '.$diro.'/'.$nam0."\n");
    } else {
      push (@mapout,$lign1);
    }
  }
  chdir ($nam0);
  open (FICHIER2, ">run.abi");
  print FICHIER2 @mapout;
  chdir ("..");
  close(FICHIER2);

  if (abs($lis0[0])+abs($lis0[1])+abs($lis0[2]) == 0) {
    # deal with run.abi when Gamma
    $igamma++;
    system("cp input0.abi $nam0/input.abi");
  } else {
    # deal with run.abi when different qpoint
    $iother++;
    @mapout=();
    $ii=1;
    foreach $lign1 (@map2) {
      if ($lign1=~ m/ qpt/) {
        $ii++;
        push (@mapout,"     qpt$ii   $lis0[0]  $lis0[1]  $lis0[2]\n");
      } else {
        push (@mapout,$lign1);
      }
    }
    chdir ($nam0);
    open (FICHIER2, ">input.abi");
    print FICHIER2 @mapout;
    chdir ("..");
    close(FICHIER2);
  }
}
print $igamma,"   gamma point\n";
print $iother,"   other      \n";
#--------------------------------------------------------
sub trim {
  foreach $lign (@_) {
    $lign=~s/ +/ /g;
    if (substr($lign,0,1) eq ' ') {substr($lign,0,1)=''}
    chop ($lign);
  }
}
}