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Correct rank in Fortran interface

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This commit is contained in:
Anthony Scemama 2021-05-08 00:35:53 +02:00
parent cd8332a3e5
commit 692f45ed7f
4 changed files with 21 additions and 7 deletions
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6
configure.ac
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@ -22,7 +22,13 @@ PKG_LIBS=""
PKG_CFLAGS="" PKG_CFLAGS=""
# Checks for programs. # Checks for programs.
AC_PROG_CC AC_PROG_CC
AC_PROG_CC_C_O
AC_PROG_FC AC_PROG_FC
AC_FC_FREEFORM
AC_FC_SRCEXT([f90])
AC_PROG_FC_C_O
AC_PROG_INSTALL AC_PROG_INSTALL
AC_PROG_LN_S AC_PROG_LN_S
AC_PROG_CC_C99 AC_PROG_CC_C99

14
src/templates_front/templator_front.org
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@ -723,6 +723,8 @@ end interface
| ~$group_dset_dtype_double$~ | Double precision type of the dataset [C] | ~double~ | | ~$group_dset_dtype_double$~ | Double precision type of the dataset [C] | ~double~ |
| ~$group_dset_f_dtype_single$~ | Single precision type of the dataset [Fortran] | ~real(4)~ | | ~$group_dset_f_dtype_single$~ | Single precision type of the dataset [Fortran] | ~real(4)~ |
| ~$group_dset_f_dtype_double$~ | Double precision type of the dataset [Fortran] | ~real(8)~ | | ~$group_dset_f_dtype_double$~ | Double precision type of the dataset [Fortran] | ~real(8)~ |
| ~$group_dset_f_dims$~ | Dimensions in Fortran | ~(:,:)~ |
Note: parent group name is always added to the child objects upon Note: parent group name is always added to the child objects upon
construction of TREXIO (e.g. ~num~ of ~nucleus~ group becomes construction of TREXIO (e.g. ~num~ of ~nucleus~ group becomes
@ -1301,7 +1303,7 @@ interface
integer function trexio_write_$group$_$group_dset$_64 (trex_file, dset) bind(C) integer function trexio_write_$group$_$group_dset$_64 (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(8), intent(in), value :: trex_file
$group_dset_f_dtype_double$, intent(in) :: dset(*) $group_dset_f_dtype_double$, intent(in) :: dset$group_dset_f_dims$
end function trexio_write_$group$_$group_dset$_64 end function trexio_write_$group$_$group_dset$_64
end interface end interface
#+end_src #+end_src
@ -1311,7 +1313,7 @@ interface
integer function trexio_read_$group$_$group_dset$_64 (trex_file, dset) bind(C) integer function trexio_read_$group$_$group_dset$_64 (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(8), intent(in), value :: trex_file
$group_dset_f_dtype_double$, intent(out) :: dset(*) $group_dset_f_dtype_double$, intent(out) :: dset$group_dset_f_dims$
end function trexio_read_$group$_$group_dset$_64 end function trexio_read_$group$_$group_dset$_64
end interface end interface
#+end_src #+end_src
@ -1321,7 +1323,7 @@ interface
integer function trexio_write_$group$_$group_dset$_32 (trex_file, dset) bind(C) integer function trexio_write_$group$_$group_dset$_32 (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(8), intent(in), value :: trex_file
$group_dset_f_dtype_single$, intent(in) :: dset(*) $group_dset_f_dtype_single$, intent(in) :: dset$group_dset_f_dims$
end function trexio_write_$group$_$group_dset$_32 end function trexio_write_$group$_$group_dset$_32
end interface end interface
#+end_src #+end_src
@ -1331,7 +1333,7 @@ interface
integer function trexio_read_$group$_$group_dset$_32 (trex_file, dset) bind(C) integer function trexio_read_$group$_$group_dset$_32 (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(8), intent(in), value :: trex_file
$group_dset_f_dtype_single$, intent(out) :: dset(*) $group_dset_f_dtype_single$, intent(out) :: dset$group_dset_f_dims$
end function trexio_read_$group$_$group_dset$_32 end function trexio_read_$group$_$group_dset$_32
end interface end interface
#+end_src #+end_src
@ -1341,7 +1343,7 @@ interface
integer function trexio_write_$group$_$group_dset$ (trex_file, dset) bind(C) integer function trexio_write_$group$_$group_dset$ (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(8), intent(in), value :: trex_file
$group_dset_f_dtype_double$, intent(in) :: dset(*) $group_dset_f_dtype_double$, intent(in) :: dset$group_dset_f_dims$
end function trexio_write_$group$_$group_dset$ end function trexio_write_$group$_$group_dset$
end interface end interface
#+end_src #+end_src
@ -1351,7 +1353,7 @@ interface
integer function trexio_read_$group$_$group_dset$ (trex_file, dset) bind(C) integer function trexio_read_$group$_$group_dset$ (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(8), intent(in), value :: trex_file
$group_dset_f_dtype_double$, intent(out) :: dset(*) $group_dset_f_dtype_double$, intent(out) :: dset$group_dset_f_dims$
end function trexio_read_$group$_$group_dset$ end function trexio_read_$group$_$group_dset$
end interface end interface
#+end_src #+end_src

6
tools/generator.py
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@ -312,6 +312,12 @@ for fname in files_funcs_dsets:
templine1 = templine2.replace('$group$', grname) templine1 = templine2.replace('$group$', grname)
templine2 = templine1.replace('$GROUP$', grname.upper()) templine2 = templine1.replace('$GROUP$', grname.upper())
if "$group_dset_f_dims$" in templine2:
dims = "(" + ",".join([":" for _ in range(params['rank'])]) + ")"
if dims == "()": dims = ""
templine1 = templine2.replace("$group_dset_f_dims$", dims)
templine2 = templine1
f_out.write(templine2) f_out.write(templine2)
else: else:
f_out.write(line) f_out.write(line)

2
trex.json
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@ -23,7 +23,7 @@
"ecp": { "ecp": {
"lmax_plus_1" : [ "int" , [ "nucleus.num" ] ] "lmax_plus_1" : [ "int" , [ "nucleus.num" ] ]
, "z_core" : [ "int" , [ "nucleus.num" ] ] , "z_core" : [ "float", [ "nucleus.num" ] ]
, "local_n" : [ "int" , [ "nucleus.num" ] ] , "local_n" : [ "int" , [ "nucleus.num" ] ]
, "local_num_n_max" : [ "int" , [ ] ] , "local_num_n_max" : [ "int" , [ ] ]
, "local_exponent" : [ "float", [ "nucleus.num", "ecp.local_num_n_max" ] ] , "local_exponent" : [ "float", [ "nucleus.num", "ecp.local_num_n_max" ] ]