Introduced templates

configure.ac

@@ -82,7 +82,7 @@ case $FC in
        fi
        ;;
     gfortran*)
-       FCFLAGS="O3 -ffast-math"
+       FCFLAGS="-O3 -ffast-math"
        if test $STATIC == 0 ; then
          FCFLAGS="$FCFLAGS -static-libgcc -static"
        fi

src/compute.irp.f

@@ -1,29 +1,23 @@
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_TEMPLATE
 
-to_compute = [\
- "eplf",
- "eplf_grad",
- "eplf_lapl",
- "elf",
- "elf_grad",
- "elf_lapl",
- "density",
- "density_grad",
- "density_lapl",
-]
-
-template = """
 BEGIN_PROVIDER [ logical, comp_$X ]
  implicit none
  BEGIN_DOC  
-! If true, $X
+! If true, compute $X
  END_DOC
  comp_$X = .False.
  call get_compute_$X(comp_$X)
 END_PROVIDER
-"""
 
-for t in to_compute:
+SUBST [ X ]
-  print template.replace("$X",t)
+ eplf;;
+ eplf_grad;;
+ eplf_lapl;;
+ elf;;
+ elf_grad;;
+ elf_lapl;;
+ density;;
+ density_grad;;
+ density_lapl;;
 
-END_SHELL
+END_TEMPLATE

src/gradients.irp.f

@@ -1,11 +1,5 @@
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_TEMPLATE
 
-values = [\
- "eplf",
- "elf",
- ]
-
-template = """
  BEGIN_PROVIDER [ real, $X_grad_p, (3) ]
 &BEGIN_PROVIDER [ real, $X_lapl_p ]
  implicit none
@@ -33,9 +27,9 @@ template = """
  TOUCH point
 
 END_PROVIDER
-"""
 
-for value in values:
+SUBST [ X ]
-  print template.replace("$X",value)
+ eplf;;
+ elf;;
 
-END_SHELL
+END_TEMPLATE

src/grid.irp.f

@@ -67,15 +67,8 @@
 
 END_PROVIDER
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_TEMPLATE
 
-grids = [ \
- "eplf",
- "elf",
- "density", 
-]
-
-template = """
 BEGIN_PROVIDER [ real, grid_$X, (grid_x_num,grid_y_num,grid_z_num) ]
  implicit none
  BEGIN_DOC
@@ -247,9 +240,10 @@ subroutine set_grid_data_$X_lapl(buffer)
    call ezfio_set_grid_data_$X_lapl(buffer)
  endif
 end
-"""
 
-for grid in grids: 
+SUBST [ X ]
-  print template.replace("$X",grid)
+ eplf;;
+ elf;;
+ density;; 
 
-END_SHELL
+END_TEMPLATE

src/info.irp.f

@@ -1,37 +1,39 @@
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_TEMPLATE
 
-for i in [('r' ,'real'), \
+ subroutine $Xinfo (here,token,value)
-          ('d','double precision'), \
+  implicit none
-          ('l','logical'), \
+  character*(*), intent(in)    :: here
-          ('i','integer'), \ 
+  character*(*), intent(in)    :: token
-          ('c','character*(*)'), \ 
+  $Y, intent(in)         :: value
-         ]:
+  if (mpi_master) then
-  print "subroutine "+i[0]+"info (here,token,value)"
+   print *,  trim(here)//':'
-  print " implicit none"
+   $Z
-  print " character*(*)    :: here"
+  endif
-  print " character*(*)    :: token"
+ end
-  print " "+i[1]+"         :: value"
-  print " if (mpi_master) then"
-  print "  print *,  trim(here)//':'"
-  if i[0] == 'l':
-   print "  if (value) then"
-   print "    print *,  ' -> ', trim(token), '= True' "
-   print "  else"
-   print "    print *,  ' -> ', trim(token), '= False' "
-   print "  endif"
-  else:
-   print "  print *,  ' -> ', trim(token), '=', value"
-  print " endif"
-  print "end"
 
-END_SHELL
+SUBST [ X, Y, Z ]
+  r; real;
+   print *,  ' -> ', trim(token), '=', value;;
+  d; double precision;
+   print *,  ' -> ', trim(token), '=', value;;
+  i; integer;
+   print *,  ' -> ', trim(token), '=', value;;
+  c; character*(*);
+   print *,  ' -> ', trim(token), '=', value;;
+  l; logical;
+   if (value) then
+     print *,  ' -> ', trim(token), '= True'
+   else
+     print *,  ' -> ', trim(token), '= False'
+   endif;;
+END_TEMPLATE
 
 subroutine info(here,message)
   implicit none
-  character*(*) :: here, message
+  character*(*), intent(in) :: here, message
   if (mpi_master) then
-   print *,  trim(here)//':'
+     print *,  trim(here)//':'
-   print *,  ' -> ', trim(message)
+     print *,  ' -> ', trim(message)
   endif
 end
 

src/to_cube.irp.f

@@ -1,10 +1,19 @@
-program write_cube
+program to_cube
   implicit none
 
   integer :: i
   integer :: l
   integer :: ix, iy, iz
+  integer :: iargc
+  character*(32) :: filename
+  character*(32) :: grid_type
 
+  if (iragc() /= 2) then
+     print *,  'usage: to_cube ',trim(filename), trim(grid_type)
+     stop 1
+  endif
+  call getarg(1,filename)
+  call getarg(2,grid_type)
   if (.not.mpi_master) then
    return
   endif