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Merge pull request #74 from TREX-CoE/build_fixes

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Build fixes
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Anthony Scemama 2022-01-19 19:33:23 +01:00 committed by GitHub
commit 78c632f93f
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10 changed files with 184 additions and 160 deletions
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5
.gitignore vendored
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@ -11,7 +11,6 @@ m4/ltsugar.m4
m4/ltversion.m4 m4/ltversion.m4
m4/lt~obsolete.m4 m4/lt~obsolete.m4
autom4te.cache/ autom4te.cache/
build-config/
ar-lib ar-lib
compile compile
config.guess config.guess
@ -23,7 +22,6 @@ config.h.in
config.h config.h
depcomp depcomp
include/config.h.in include/config.h.in
include/config.h.in~
include/stamp-h1 include/stamp-h1
install-sh install-sh
libtool libtool
@ -40,3 +38,6 @@ test-suite.log
*.h5 *.h5
trexio-*.tar.gz trexio-*.tar.gz
trex.json trex.json
*~
.*.swp
/build*

4
CMakeLists.txt
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@ -16,7 +16,7 @@ set(CMAKE_C_STANDARD_REQUIRED ON)
# Optional configure for developer mode to generate source code from org-mode files. # Optional configure for developer mode to generate source code from org-mode files.
option(TREXIO_DEVEL "TREXIO developer mode (for code generation)." OFF) option(TREXIO_DEVEL "TREXIO developer mode (for code generation)." OFF)
if(EXISTS ".git/config") if(EXISTS "${CMAKE_SOURCE_DIR}/.git/config")
set(TREXIO_DEVEL ON) set(TREXIO_DEVEL ON)
find_package(Python3 REQUIRED) find_package(Python3 REQUIRED)
if(Python3_FOUND) if(Python3_FOUND)
@ -32,6 +32,8 @@ if(EXISTS ".git/config")
else() else()
message(FATAL_ERROR "EMACS not found. It is required to produce TREXIO source code from org-mode files.") message(FATAL_ERROR "EMACS not found. It is required to produce TREXIO source code from org-mode files.")
endif() endif()
configure_file(${CMAKE_SOURCE_DIR}/include/cmake_config.h.in
${CMAKE_SOURCE_DIR}/include/config.h)
endif() endif()
# Set directories to be included at build time. # Set directories to be included at build time.

7
README.md
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@ -26,8 +26,9 @@ TREX library for efficient I/O.
7. `sudo make install` 7. `sudo make install`
**Note: on systems with no `sudo` access, one can replace `./configure` with `./configure prefix=${PWD}/_install` in order to execute `make install/uninstall` commands without `sudo` privileges.** **Note: on systems with no `sudo` access, one can replace `./configure` with `./configure prefix=${PWD}/build` in order to execute `make install/uninstall` commands without `sudo` privileges.**
**Note: when linking against an MPI-enabled HDF5 library one usually has to specify the MPI wrapper for the C compiler by adding, e.g., `CC=mpicc` to the `./configure` command.**
## Additional requirements (for developers): ## Additional requirements (for developers):
@ -56,6 +57,10 @@ The aforementioned instructions rely on [Autotools](https://www.gnu.org/software
4. `ctest` (or `make test`) 4. `ctest` (or `make test`)
5. `sudo make install` 5. `sudo make install`
**Note: on systems with no `sudo` access, one can add `-DCMAKE_INSTALL_PREFIX=build` as an argument to the `cmake` command so that `make install/uninstall` can be run without `sudo` privileges.**
**Note: when linking against an MPI-enabled HDF5 library one usually has to specify the MPI wrapper for the C compiler by adding, e.g., `-DCMAKE_C_COMPILER=mpicc` to the `cmake` command.**
## Compilation without the HDF5 library ## Compilation without the HDF5 library
By default, the configuration step proceeds to search for the [HDF5 library](https://portal.hdfgroup.org/display/HDF5/HDF5). By default, the configuration step proceeds to search for the [HDF5 library](https://portal.hdfgroup.org/display/HDF5/HDF5).

5
include/cmake_config.h.in Normal file
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@ -0,0 +1,5 @@
#define PACKAGE_VERSION "@PROJECT_VERSION@"
#define VERSION "@PROJECT_VERSION@"
#define VERSION_MAJOR @PROJECT_VERSION_MAJOR@
#define VERSION_MINOR @PROJECT_VERSION_MINOR@
#define VERSION_PATCH @PROJECT_VERSION_PATCH@

1
src/.gitignore vendored
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@ -28,6 +28,7 @@ trexio_hdf5.c
trexio_f.f90 trexio_f.f90
trexio.mod trexio.mod
trexio.py
pytrexio.py pytrexio.py
pytrexio_wrap.c pytrexio_wrap.c

11
src/CMakeLists.txt
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@ -91,6 +91,8 @@ FortranCInterface_VERIFY()
# Fortran module # Fortran module
set(TREXIO_MOD_FILE ${CMAKE_SOURCE_DIR}/include/trexio_f.f90) set(TREXIO_MOD_FILE ${CMAKE_SOURCE_DIR}/include/trexio_f.f90)
# Export to parent scope so tests directory picks this up.
set(TREXIO_MOD_FILE ${TREXIO_MOD_FILE} PARENT_SCOPE)
# Add TREXIO Fortran module as a library. # Add TREXIO Fortran module as a library.
add_library(trexio_f SHARED) add_library(trexio_f SHARED)
target_sources(trexio_f PUBLIC ${TREXIO_MOD_FILE}) target_sources(trexio_f PUBLIC ${TREXIO_MOD_FILE})
@ -114,10 +116,17 @@ if(TREXIO_DEVEL)
${TREXIO_PRIVATE_HEADERS} ${TREXIO_PRIVATE_HEADERS}
${TREXIO_MOD_FILE} ${TREXIO_MOD_FILE}
COMMAND ./build_trexio.sh COMMAND ./build_trexio.sh
DEPENDS ${ORG_FILES} DEPENDS ${ORG_FILES} ${CMAKE_SOURCE_DIR}/include/config.h
WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}/tools WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}/tools
COMMENT "Generating TREXIO source code from org-mode files." COMMENT "Generating TREXIO source code from org-mode files."
VERBATIM) VERBATIM)
set_source_files_properties(${TREXIO_SOURCES}
${TREXIO_PUBLIC_HEADERS}
${TREXIO_PRIVATE_HEADERS}
${TREXIO_MOD_FILE}
PROPERTIES GENERATED TRUE)
endif() endif()
# ============= INSTALL TREXIO ============== # ============= INSTALL TREXIO ==============

8
src/templates_front/build.sh
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@ -12,10 +12,10 @@ VERSION_PATCH_VAL=`grep "VERSION_PATCH" ../../include/config.h | cut -d " " -f 3
# grep some usefull constants from the config.h # grep some usefull constants from the config.h
echo "" >> trexio.h echo "" >> trexio.h
echo "#define TREXIO_PACKAGE_VERSION ${VERSION_VAL}" >> trexio.h echo "#define TREXIO_PACKAGE_VERSION ${VERSION_VAL:='0.0.0'}" >> trexio.h
echo "#define TREXIO_VERSION_MAJOR ${VERSION_MAJOR_VAL}" >> trexio.h echo "#define TREXIO_VERSION_MAJOR ${VERSION_MAJOR_VAL:=0}" >> trexio.h
echo "#define TREXIO_VERSION_MINOR ${VERSION_MINOR_VAL}" >> trexio.h echo "#define TREXIO_VERSION_MINOR ${VERSION_MINOR_VAL:=0}" >> trexio.h
echo "#define TREXIO_VERSION_PATCH ${VERSION_PATCH_VAL}" >> trexio.h echo "#define TREXIO_VERSION_PATCH ${VERSION_PATCH_VAL:=0}" >> trexio.h
echo "" >> trexio.h echo "" >> trexio.h
cat prefix_s_front.h > trexio_s.h cat prefix_s_front.h > trexio_s.h

287
src/templates_front/templator_front.org
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@ -82,8 +82,8 @@ module trexio
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
implicit none implicit none
integer, parameter :: trexio_exit_code = 4 integer, parameter :: trexio_exit_code = c_int32_t
integer, parameter :: trexio_backend = 4 integer, parameter :: trexio_backend = c_int32_t
character(kind=c_char), parameter :: TREXIO_DELIM = c_new_line character(kind=c_char), parameter :: TREXIO_DELIM = c_new_line
#+end_src #+end_src
@ -491,8 +491,8 @@ interface
subroutine trexio_string_of_error (error, string) bind(C, name='trexio_string_of_error_f') subroutine trexio_string_of_error (error, string) bind(C, name='trexio_string_of_error_f')
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
import import
integer (trexio_exit_code), intent(in), value :: error integer(trexio_exit_code), intent(in), value :: error
character, intent(out) :: string(<<MAX_STRING_LENGTH()>>) character(kind=c_char), intent(out) :: string(<<MAX_STRING_LENGTH()>>)
end subroutine trexio_string_of_error end subroutine trexio_string_of_error
end interface end interface
#+end_src #+end_src
@ -595,9 +595,9 @@ bool trexio_has_backend(back_end_t back_end) {
#+begin_src f90 :tangle prefix_fortran.f90 #+begin_src f90 :tangle prefix_fortran.f90
interface interface
logical function trexio_has_backend (back_end) bind(C) logical(c_bool) function trexio_has_backend (back_end) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(4), intent(in), value :: back_end integer(c_int32_t), intent(in), value :: back_end
end function trexio_has_backend end function trexio_has_backend
end interface end interface
#+end_src #+end_src
@ -966,11 +966,11 @@ trexio_open(const char* file_name, const char mode,
#+begin_src f90 :tangle prefix_fortran.f90 #+begin_src f90 :tangle prefix_fortran.f90
interface interface
integer(8) function trexio_open_c (filename, mode, backend, rc_open) bind(C, name="trexio_open") integer(c_int64_t) function trexio_open_c (filename, mode, backend, rc_open) bind(C, name="trexio_open")
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
import import
character(kind=c_char), dimension(*) :: filename character(kind=c_char), dimension(*) :: filename
character, intent(in), value :: mode character(kind=c_char), intent(in), value :: mode
integer(trexio_backend), intent(in), value :: backend integer(trexio_backend), intent(in), value :: backend
integer(trexio_exit_code), intent(out) :: rc_open integer(trexio_exit_code), intent(out) :: rc_open
end function trexio_open_c end function trexio_open_c
@ -1044,9 +1044,9 @@ trexio_exit_code trexio_set_one_based(trexio_t* file)
#+begin_src f90 :tangle prefix_fortran.f90 #+begin_src f90 :tangle prefix_fortran.f90
interface interface
integer function trexio_set_one_based(trex_file) bind(C) integer(c_int32_t) function trexio_set_one_based(trex_file) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
end function trexio_set_one_based end function trexio_set_one_based
end interface end interface
#+end_src #+end_src
@ -1147,9 +1147,9 @@ trexio_close (trexio_t* file)
#+begin_src f90 :tangle prefix_fortran.f90 #+begin_src f90 :tangle prefix_fortran.f90
interface interface
integer function trexio_close (trex_file) bind(C) integer(c_int32_t) function trexio_close (trex_file) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
end function trexio_close end function trexio_close
end interface end interface
#+end_src #+end_src
@ -1271,29 +1271,29 @@ def _inquire(file_name: str) -> bool:
example, in ~#define~ statements). More detailed description of example, in ~#define~ statements). More detailed description of
each variable can be found below: each variable can be found below:
| Template variable | Description | Example | | Template variable | Description | Example |
|--------------------------------+-----------------------------------------------------+-----------------------| |--------------------------------+-----------------------------------------------------+-------------------------------------|
| ~$group$~ | Name of the group | ~nucleus~ | | ~$group$~ | Name of the group | ~nucleus~ |
| ~$group_num$~ | Name of the numerical attribute (scalar) | ~nucleus_num~ | | ~$group_num$~ | Name of the numerical attribute (scalar) | ~nucleus_num~ |
| ~$group_str$~ | Name of the string attribute (scalar) | ~nucleus_point_group~ | | ~$group_str$~ | Name of the string attribute (scalar) | ~nucleus_point_group~ |
| ~$group_dset$~ | Name of the dataset (vector/matrix/tensor) | ~nucleus_coord~ | | ~$group_dset$~ | Name of the dataset (vector/matrix/tensor) | ~nucleus_coord~ |
| ~$group_dset_rank$~ | Rank of the dataset | ~2~ | | ~$group_dset_rank$~ | Rank of the dataset | ~2~ |
| ~$group_dset_dim$~ | Selected dimension of the dataset | ~nucleus_num~ | | ~$group_dset_dim$~ | Selected dimension of the dataset | ~nucleus_num~ |
| ~$group_dset_dim_list$~ | All dimensions of the dataset | ~{nucleus_num, 3}~ | | ~$group_dset_dim_list$~ | All dimensions of the dataset | ~{nucleus_num, 3}~ |
| ~$group_dset_dtype$~ | Basic type of the dataset (int/float/char) | ~float~ | | ~$group_dset_dtype$~ | Basic type of the dataset (int/float/char) | ~float~ |
| ~$group_dset_h5_dtype$~ | Type of the dataset in HDF5 | ~double~ | | ~$group_dset_h5_dtype$~ | Type of the dataset in HDF5 | ~double~ |
| ~$group_dset_format_scanf$~ | Input type of the dataset in TEXT [fscanf] | ~%lf~ | | ~$group_dset_format_scanf$~ | Input type of the dataset in TEXT [fscanf] | ~%lf~ |
| ~$group_dset_format_printf$~ | Output type of the dataset in TEXT [fprintf] | ~%24.16e~ | | ~$group_dset_format_printf$~ | Output type of the dataset in TEXT [fprintf] | ~%24.16e~ |
| ~$group_dset_dtype_default$~ | Default datatype of the dataset [C] | ~double/int32_t~ | | ~$group_dset_dtype_default$~ | Default datatype of the dataset [C] | ~double/int32_t~ |
| ~$group_dset_dtype_single$~ | Single precision datatype of the dataset [C] | ~float/int32_t~ | | ~$group_dset_dtype_single$~ | Single precision datatype of the dataset [C] | ~float/int32_t~ |
| ~$group_dset_dtype_double$~ | Double precision datatype of the dataset [C] | ~double/int64_t~ | | ~$group_dset_dtype_double$~ | Double precision datatype of the dataset [C] | ~double/int64_t~ |
| ~$group_dset_f_dtype_default$~ | Default datatype of the dataset [Fortran] | ~real(8)/integer(4)~ | | ~$group_dset_f_dtype_default$~ | Default datatype of the dataset [Fortran] | ~real(c_double)/integer(c_int32_t)~ |
| ~$group_dset_f_dtype_single$~ | Single precision datatype of the dataset [Fortran] | ~real(4)/integer(4)~ | | ~$group_dset_f_dtype_single$~ | Single precision datatype of the dataset [Fortran] | ~real(c_float)/integer(c_int32_t)~ |
| ~$group_dset_f_dtype_double$~ | Double precision datatype of the dataset [Fortran] | ~real(8)/integer(8)~ | | ~$group_dset_f_dtype_double$~ | Double precision datatype of the dataset [Fortran] | ~real(c_double)/integer(c_int64_t)~ |
| ~$group_dset_f_dims$~ | Dimensions in Fortran | ~(:,:)~ | | ~$group_dset_f_dims$~ | Dimensions in Fortran | ~(:,:)~ |
| ~$group_dset_py_dtype$~ | Standard datatype of the dataset [Python] | ~float/int~ | | ~$group_dset_py_dtype$~ | Standard datatype of the dataset [Python] | ~float/int~ |
| ~$default_prec$~ | Default precision for read/write without suffix [C] | ~64/32~ | | ~$default_prec$~ | Default precision for read/write without suffix [C] | ~64/32~ |
| ~$is_index$~ | Expands to ~true~ if dataset has a type ~index~ [C] | ~true/false~ | | ~$is_index$~ | Expands to ~true~ if dataset has a type ~index~ [C] | ~true/false~ |
Some of the aforementioned template variables with ~group_dset~ prefix are duplicated with ~group_num~ prefix, Some of the aforementioned template variables with ~group_dset~ prefix are duplicated with ~group_num~ prefix,
@ -1546,9 +1546,9 @@ trexio_has_$group_num$ (trexio_t* const file)
#+begin_src f90 :tangle write_attr_num_64_front_fortran.f90 #+begin_src f90 :tangle write_attr_num_64_front_fortran.f90
interface interface
integer function trexio_write_$group_num$_64 (trex_file, num) bind(C) integer(c_int32_t) function trexio_write_$group_num$_64 (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_num_f_dtype_double$, intent(in), value :: num $group_num_f_dtype_double$, intent(in), value :: num
end function trexio_write_$group_num$_64 end function trexio_write_$group_num$_64
end interface end interface
@ -1556,9 +1556,9 @@ end interface
#+begin_src f90 :tangle read_attr_num_64_front_fortran.f90 #+begin_src f90 :tangle read_attr_num_64_front_fortran.f90
interface interface
integer function trexio_read_$group_num$_64 (trex_file, num) bind(C) integer(c_int32_t) function trexio_read_$group_num$_64 (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_num_f_dtype_double$, intent(out) :: num $group_num_f_dtype_double$, intent(out) :: num
end function trexio_read_$group_num$_64 end function trexio_read_$group_num$_64
end interface end interface
@ -1566,9 +1566,9 @@ end interface
#+begin_src f90 :tangle write_attr_num_32_front_fortran.f90 #+begin_src f90 :tangle write_attr_num_32_front_fortran.f90
interface interface
integer function trexio_write_$group_num$_32 (trex_file, num) bind(C) integer(c_int32_t) function trexio_write_$group_num$_32 (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_num_f_dtype_single$, intent(in), value :: num $group_num_f_dtype_single$, intent(in), value :: num
end function trexio_write_$group_num$_32 end function trexio_write_$group_num$_32
end interface end interface
@ -1576,9 +1576,9 @@ end interface
#+begin_src f90 :tangle read_attr_num_32_front_fortran.f90 #+begin_src f90 :tangle read_attr_num_32_front_fortran.f90
interface interface
integer function trexio_read_$group_num$_32 (trex_file, num) bind(C) integer(c_int32_t) function trexio_read_$group_num$_32 (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_num_f_dtype_single$, intent(out) :: num $group_num_f_dtype_single$, intent(out) :: num
end function trexio_read_$group_num$_32 end function trexio_read_$group_num$_32
end interface end interface
@ -1586,9 +1586,9 @@ end interface
#+begin_src f90 :tangle write_attr_num_def_front_fortran.f90 #+begin_src f90 :tangle write_attr_num_def_front_fortran.f90
interface interface
integer function trexio_write_$group_num$ (trex_file, num) bind(C) integer(c_int32_t) function trexio_write_$group_num$ (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_num_f_dtype_default$, intent(in), value :: num $group_num_f_dtype_default$, intent(in), value :: num
end function trexio_write_$group_num$ end function trexio_write_$group_num$
end interface end interface
@ -1596,9 +1596,9 @@ end interface
#+begin_src f90 :tangle read_attr_num_def_front_fortran.f90 #+begin_src f90 :tangle read_attr_num_def_front_fortran.f90
interface interface
integer function trexio_read_$group_num$ (trex_file, num) bind(C) integer(c_int32_t) function trexio_read_$group_num$ (trex_file, num) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_num_f_dtype_default$, intent(out) :: num $group_num_f_dtype_default$, intent(out) :: num
end function trexio_read_$group_num$ end function trexio_read_$group_num$
end interface end interface
@ -1606,9 +1606,9 @@ end interface
#+begin_src f90 :tangle has_attr_num_front_fortran.f90 #+begin_src f90 :tangle has_attr_num_front_fortran.f90
interface interface
integer function trexio_has_$group_num$ (trex_file) bind(C) integer(c_int32_t) function trexio_has_$group_num$ (trex_file) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
end function trexio_has_$group_num$ end function trexio_has_$group_num$
end interface end interface
#+end_src #+end_src
@ -2209,9 +2209,9 @@ trexio_has_$group_dset$ (trexio_t* const file)
#+begin_src f90 :tangle write_dset_data_64_front_fortran.f90 #+begin_src f90 :tangle write_dset_data_64_front_fortran.f90
interface interface
integer function trexio_write_$group_dset$_64 (trex_file, dset) bind(C) integer(c_int32_t) function trexio_write_$group_dset$_64 (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_dset_f_dtype_double$, intent(in) :: dset$group_dset_f_dims$ $group_dset_f_dtype_double$, intent(in) :: dset$group_dset_f_dims$
end function trexio_write_$group_dset$_64 end function trexio_write_$group_dset$_64
end interface end interface
@ -2219,9 +2219,9 @@ end interface
#+begin_src f90 :tangle read_dset_data_64_front_fortran.f90 #+begin_src f90 :tangle read_dset_data_64_front_fortran.f90
interface interface
integer function trexio_read_$group_dset$_64 (trex_file, dset) bind(C) integer(c_int32_t) function trexio_read_$group_dset$_64 (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_dset_f_dtype_double$, intent(out) :: dset$group_dset_f_dims$ $group_dset_f_dtype_double$, intent(out) :: dset$group_dset_f_dims$
end function trexio_read_$group_dset$_64 end function trexio_read_$group_dset$_64
end interface end interface
@ -2229,9 +2229,9 @@ end interface
#+begin_src f90 :tangle write_dset_data_32_front_fortran.f90 #+begin_src f90 :tangle write_dset_data_32_front_fortran.f90
interface interface
integer function trexio_write_$group_dset$_32 (trex_file, dset) bind(C) integer(c_int32_t) function trexio_write_$group_dset$_32 (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_dset_f_dtype_single$, intent(in) :: dset$group_dset_f_dims$ $group_dset_f_dtype_single$, intent(in) :: dset$group_dset_f_dims$
end function trexio_write_$group_dset$_32 end function trexio_write_$group_dset$_32
end interface end interface
@ -2239,9 +2239,9 @@ end interface
#+begin_src f90 :tangle read_dset_data_32_front_fortran.f90 #+begin_src f90 :tangle read_dset_data_32_front_fortran.f90
interface interface
integer function trexio_read_$group_dset$_32 (trex_file, dset) bind(C) integer(c_int32_t) function trexio_read_$group_dset$_32 (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_dset_f_dtype_single$, intent(out) :: dset$group_dset_f_dims$ $group_dset_f_dtype_single$, intent(out) :: dset$group_dset_f_dims$
end function trexio_read_$group_dset$_32 end function trexio_read_$group_dset$_32
end interface end interface
@ -2249,9 +2249,9 @@ end interface
#+begin_src f90 :tangle write_dset_data_def_front_fortran.f90 #+begin_src f90 :tangle write_dset_data_def_front_fortran.f90
interface interface
integer function trexio_write_$group_dset$ (trex_file, dset) bind(C) integer(c_int32_t) function trexio_write_$group_dset$ (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_dset_f_dtype_default$, intent(in) :: dset$group_dset_f_dims$ $group_dset_f_dtype_default$, intent(in) :: dset$group_dset_f_dims$
end function trexio_write_$group_dset$ end function trexio_write_$group_dset$
end interface end interface
@ -2259,9 +2259,9 @@ end interface
#+begin_src f90 :tangle read_dset_data_def_front_fortran.f90 #+begin_src f90 :tangle read_dset_data_def_front_fortran.f90
interface interface
integer function trexio_read_$group_dset$ (trex_file, dset) bind(C) integer(c_int32_t) function trexio_read_$group_dset$ (trex_file, dset) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
$group_dset_f_dtype_default$, intent(out) :: dset$group_dset_f_dims$ $group_dset_f_dtype_default$, intent(out) :: dset$group_dset_f_dims$
end function trexio_read_$group_dset$ end function trexio_read_$group_dset$
end interface end interface
@ -2269,9 +2269,9 @@ end interface
#+begin_src f90 :tangle has_dset_data_front_fortran.f90 #+begin_src f90 :tangle has_dset_data_front_fortran.f90
interface interface
integer function trexio_has_$group_dset$ (trex_file) bind(C) integer(c_int32_t) function trexio_has_$group_dset$ (trex_file) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
end function trexio_has_$group_dset$ end function trexio_has_$group_dset$
end interface end interface
#+end_src #+end_src
@ -2818,82 +2818,82 @@ trexio_has_$group_dset$ (trexio_t* const file)
#+begin_src f90 :tangle write_dset_sparse_front_fortran.f90 #+begin_src f90 :tangle write_dset_sparse_front_fortran.f90
interface interface
integer function trexio_write_$group_dset$ (trex_file, & integer(c_int32_t) function trexio_write_$group_dset$ (trex_file, &
offset_file, buffer_size, & offset_file, buffer_size, &
index_sparse, value_sparse) bind(C) index_sparse, value_sparse) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
integer(8), intent(in), value :: offset_file integer(c_int64_t), intent(in), value :: offset_file
integer(8), intent(in), value :: buffer_size integer(c_int64_t), intent(in), value :: buffer_size
integer(4), intent(in) :: index_sparse(*) integer(c_int32_t), intent(in) :: index_sparse(*)
double precision, intent(in) :: value_sparse(*) real(c_double), intent(in) :: value_sparse(*)
end function trexio_write_$group_dset$ end function trexio_write_$group_dset$
end interface end interface
interface interface
integer function trexio_write_safe_$group_dset$ (trex_file, & integer(c_int32_t) function trexio_write_safe_$group_dset$ (trex_file, &
offset_file, buffer_size, & offset_file, buffer_size, &
index_sparse, index_size, & index_sparse, index_size, &
value_sparse, value_size) bind(C) value_sparse, value_size) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
integer(8), intent(in), value :: offset_file integer(c_int64_t), intent(in), value :: offset_file
integer(8), intent(in), value :: buffer_size integer(c_int64_t), intent(in), value :: buffer_size
integer(4), intent(in) :: index_sparse(*) integer(c_int32_t), intent(in) :: index_sparse(*)
integer(8), intent(in), value :: index_size integer(c_int64_t), intent(in), value :: index_size
double precision, intent(in) :: value_sparse(*) real(c_double), intent(in) :: value_sparse(*)
integer(8), intent(in), value :: value_size integer(c_int64_t), intent(in), value :: value_size
end function trexio_write_safe_$group_dset$ end function trexio_write_safe_$group_dset$
end interface end interface
#+end_src #+end_src
#+begin_src f90 :tangle read_dset_sparse_front_fortran.f90 #+begin_src f90 :tangle read_dset_sparse_front_fortran.f90
interface interface
integer function trexio_read_$group_dset$ (trex_file, & integer(c_int32_t) function trexio_read_$group_dset$ (trex_file, &
offset_file, buffer_size, & offset_file, buffer_size, &
index_sparse, value_sparse) bind(C) index_sparse, value_sparse) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
integer(8), intent(in), value :: offset_file integer(c_int64_t), intent(in), value :: offset_file
integer(8), intent(inout) :: buffer_size integer(c_int64_t), intent(inout) :: buffer_size
integer(4), intent(out) :: index_sparse(*) integer(c_int32_t), intent(out) :: index_sparse(*)
double precision, intent(out) :: value_sparse(*) real(c_double), intent(out) :: value_sparse(*)
end function trexio_read_$group_dset$ end function trexio_read_$group_dset$
end interface end interface
interface interface
integer function trexio_read_safe_$group_dset$ (trex_file, & integer(c_int32_t) function trexio_read_safe_$group_dset$ (trex_file, &
offset_file, buffer_size, & offset_file, buffer_size, &
index_sparse, index_size, & index_sparse, index_size, &
value_sparse, value_size) bind(C) value_sparse, value_size) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
integer(8), intent(in), value :: offset_file integer(c_int64_t), intent(in), value :: offset_file
integer(8), intent(inout) :: buffer_size integer(c_int64_t), intent(inout) :: buffer_size
integer(4), intent(out) :: index_sparse(*) integer(c_int32_t), intent(out) :: index_sparse(*)
integer(8), intent(in), value :: index_size integer(c_int64_t), intent(in), value :: index_size
double precision, intent(out) :: value_sparse(*) real(c_double), intent(out) :: value_sparse(*)
integer(8), intent(in), value :: value_size integer(c_int64_t), intent(in), value :: value_size
end function trexio_read_safe_$group_dset$ end function trexio_read_safe_$group_dset$
end interface end interface
#+end_src #+end_src
#+begin_src f90 :tangle read_dset_sparse_size_front_fortran.f90 #+begin_src f90 :tangle read_dset_sparse_size_front_fortran.f90
interface interface
integer function trexio_read_$group_dset$_size (trex_file, & integer(c_int32_t) function trexio_read_$group_dset$_size (trex_file, &
size_max) bind(C) size_max) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
integer(8), intent(out) :: size_max integer(c_int64_t), intent(out) :: size_max
end function trexio_read_$group_dset$_size end function trexio_read_$group_dset$_size
end interface end interface
#+end_src #+end_src
#+begin_src f90 :tangle has_dset_sparse_front_fortran.f90 #+begin_src f90 :tangle has_dset_sparse_front_fortran.f90
interface interface
integer function trexio_has_$group_dset$ (trex_file) bind(C) integer(c_int32_t) function trexio_has_$group_dset$ (trex_file) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
end function trexio_has_$group_dset$ end function trexio_has_$group_dset$
end interface end interface
#+end_src #+end_src
@ -3389,31 +3389,31 @@ trexio_has_$group_dset$ (trexio_t* const file)
#+begin_src f90 :tangle write_dset_str_front_fortran.f90 #+begin_src f90 :tangle write_dset_str_front_fortran.f90
interface interface
integer function trexio_write_$group_dset$_low (trex_file, dset, max_str_len) bind(C) integer(c_int32_t) function trexio_write_$group_dset$_low (trex_file, dset, max_str_len) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
character, intent(in) :: dset(*) character(kind=c_char), intent(in) :: dset(*)
integer(4), intent(in), value :: max_str_len integer(c_int32_t), intent(in), value :: max_str_len
end function trexio_write_$group_dset$_low end function trexio_write_$group_dset$_low
end interface end interface
#+end_src #+end_src
#+begin_src f90 :tangle read_dset_str_front_fortran.f90 #+begin_src f90 :tangle read_dset_str_front_fortran.f90
interface interface
integer function trexio_read_$group_dset$_low (trex_file, dset, max_str_len) bind(C) integer(c_int32_t) function trexio_read_$group_dset$_low (trex_file, dset, max_str_len) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
character, intent(out) :: dset(*) character(kind=c_char), intent(out) :: dset(*)
integer(4), intent(in), value :: max_str_len integer(c_int32_t), intent(in), value :: max_str_len
end function trexio_read_$group_dset$_low end function trexio_read_$group_dset$_low
end interface end interface
#+end_src #+end_src
#+begin_src f90 :tangle has_dset_str_front_fortran.f90 #+begin_src f90 :tangle has_dset_str_front_fortran.f90
interface interface
integer function trexio_has_$group_dset$ (trex_file) bind(C) integer(c_int32_t) function trexio_has_$group_dset$ (trex_file) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
end function trexio_has_$group_dset$ end function trexio_has_$group_dset$
end interface end interface
#+end_src #+end_src
@ -3421,8 +3421,8 @@ end interface
#+begin_src f90 :tangle helper_read_dset_str_front_fortran.fh_90 #+begin_src f90 :tangle helper_read_dset_str_front_fortran.fh_90
integer function trexio_read_$group_dset$ (trex_file, dset, max_str_len) integer function trexio_read_$group_dset$ (trex_file, dset, max_str_len)
implicit none implicit none
integer(8), intent(in), value :: trex_file integer(8), intent(in), value :: trex_file
integer(4), intent(in), value :: max_str_len integer(4), intent(in), value :: max_str_len
character(len=*), intent(inout) :: dset(*) character(len=*), intent(inout) :: dset(*)
character, allocatable :: str_compiled(:) character, allocatable :: str_compiled(:)
@ -3452,7 +3452,7 @@ end interface
implicit none implicit none
integer(8), intent(in), value :: trex_file integer(8), intent(in), value :: trex_file
integer(4), intent(in), value :: max_str_len integer(4), intent(in), value :: max_str_len
character(len=*), intent(in) :: dset(*) character(len=*), intent(in) :: dset(*)
character(len=:), allocatable :: str_compiled character(len=:), allocatable :: str_compiled
integer(8) :: $group_dset_dim$ integer(8) :: $group_dset_dim$
@ -3705,33 +3705,33 @@ trexio_has_$group_str$ (trexio_t* const file)
#+begin_src f90 :tangle write_attr_str_front_fortran.f90 #+begin_src f90 :tangle write_attr_str_front_fortran.f90
interface interface
integer function trexio_write_$group_str$_c (trex_file, str, max_str_len) & integer(c_int32_t) function trexio_write_$group_str$_c (trex_file, str, max_str_len) &
bind(C, name="trexio_write_$group_str$") bind(C, name="trexio_write_$group_str$")
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
character, intent(in) :: str(*) character(kind=c_char), intent(in) :: str(*)
integer(4), intent(in), value :: max_str_len integer(c_int32_t), intent(in), value :: max_str_len
end function trexio_write_$group_str$_c end function trexio_write_$group_str$_c
end interface end interface
#+end_src #+end_src
#+begin_src f90 :tangle read_attr_str_front_fortran.f90 #+begin_src f90 :tangle read_attr_str_front_fortran.f90
interface interface
integer function trexio_read_$group_str$_c (trex_file, str, max_str_len) & integer(c_int32_t) function trexio_read_$group_str$_c (trex_file, str, max_str_len) &
bind(C, name="trexio_read_$group_str$") bind(C, name="trexio_read_$group_str$")
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
character, intent(out) :: str(*) character(kind=c_char), intent(out) :: str(*)
integer(4), intent(in), value :: max_str_len integer(c_int32_t), intent(in), value :: max_str_len
end function trexio_read_$group_str$_c end function trexio_read_$group_str$_c
end interface end interface
#+end_src #+end_src
#+begin_src f90 :tangle has_attr_str_front_fortran.f90 #+begin_src f90 :tangle has_attr_str_front_fortran.f90
interface interface
integer function trexio_has_$group_str$ (trex_file) bind(C) integer(c_int32_t) function trexio_has_$group_str$ (trex_file) bind(C)
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
integer(8), intent(in), value :: trex_file integer(c_int64_t), intent(in), value :: trex_file
end function trexio_has_$group_str$ end function trexio_has_$group_str$
end interface end interface
#+end_src #+end_src
@ -3754,7 +3754,7 @@ end interface
implicit none implicit none
integer(8), intent(in), value :: trex_file integer(8), intent(in), value :: trex_file
integer(4), intent(in), value :: max_str_len integer(4), intent(in), value :: max_str_len
character(len=*), intent(in) :: str character(len=*), intent(in) :: str
character(len=len_trim(str)+1) :: str_c character(len=len_trim(str)+1) :: str_c
@ -3864,7 +3864,7 @@ contains
character, intent(in), value :: mode character, intent(in), value :: mode
integer(trexio_backend), intent(in), value :: backend integer(trexio_backend), intent(in), value :: backend
integer(trexio_exit_code), intent(out) :: rc_open integer(trexio_exit_code), intent(out) :: rc_open
character(len=len_trim(filename)+1) :: filename_c character(len=len_trim(filename)+1) :: filename_c
integer(trexio_exit_code) :: rc integer(trexio_exit_code) :: rc
filename_c = trim(filename) // c_null_char filename_c = trim(filename) // c_null_char
@ -3910,7 +3910,7 @@ contains
integer, intent(in), value :: max_len_str ! maximum length of a string in an array integer, intent(in), value :: max_len_str ! maximum length of a string in an array
character(len=*), intent(in) :: str_array(*) character(len=*), intent(in) :: str_array(*)
character(len=:), allocatable, intent(out) :: str_res character(len=:), allocatable, intent(out) :: str_res
integer :: i integer(8) :: i
str_res = '' str_res = ''
do i = 1, max_num_str do i = 1, max_num_str
@ -3928,18 +3928,16 @@ contains
implicit none implicit none
integer(8), intent(in), value :: max_num_str ! number of elements in strign array integer(8), intent(in), value :: max_num_str ! number of elements in strign array
integer, intent(in), value :: max_len_str ! maximum length of a string in an array integer, intent(in), value :: max_len_str ! maximum length of a string in an array
character, intent(in) :: str_flat(*) character, intent(in) :: str_flat(*)
character(len=*), intent(inout) :: str_array(*) character(len=*), intent(inout) :: str_array(*)
character(len=max_len_str) :: tmp_str character(len=max_len_str) :: tmp_str
integer :: i, j, k, ind, offset integer(8) :: len_flat, i, j, k, ind
integer(8) :: len_flat
len_flat = (max_len_str+1)*max_num_str + 1 len_flat = (max_len_str+1)*max_num_str + 1
ind=1 ind=1
offset=1
do i=1,max_num_str do i=1,max_num_str
k = 1 k = 1
tmp_str='' tmp_str=''
@ -3952,7 +3950,6 @@ contains
k = k + 1 k = k + 1
enddo enddo
str_array(i)=tmp_str str_array(i)=tmp_str
offset=ind
enddo enddo
end subroutine trexio_str2strarray end subroutine trexio_str2strarray
@ -3967,8 +3964,8 @@ contains
subroutine trexio_assert(trexio_rc, check_rc, success_message) subroutine trexio_assert(trexio_rc, check_rc, success_message)
implicit none implicit none
integer, intent(in), value :: trexio_rc integer, intent(in), value :: trexio_rc
integer, intent(in), value :: check_rc integer, intent(in), value :: check_rc
character(len=*), intent(in), optional :: success_message character(len=*), intent(in), optional :: success_message
character*(128) :: str character*(128) :: str
@ -3978,7 +3975,7 @@ contains
else else
call trexio_string_of_error(trexio_rc, str) call trexio_string_of_error(trexio_rc, str)
print *, trim(str) print *, trim(str)
call exit(1) error stop 1
endif endif
end subroutine trexio_assert end subroutine trexio_assert

4
tests/CMakeLists.txt
View File

@ -44,4 +44,8 @@ endforeach()
# Add Fortran test and link it with trexio_f (Fortran module) library. # Add Fortran test and link it with trexio_f (Fortran module) library.
add_executable(test_f test_f.f90) add_executable(test_f test_f.f90)
target_link_libraries(test_f PRIVATE trexio_f) target_link_libraries(test_f PRIVATE trexio_f)
if(TREXIO_DEVEL)
set_source_files_properties(${TREXIO_MOD_FILE}
PROPERTIES GENERATED TRUE)
endif()
add_test(NAME test_f COMMAND $<TARGET_FILE:test_f>) add_test(NAME test_f COMMAND $<TARGET_FILE:test_f>)

12
tools/generator_tools.py
View File

@ -494,9 +494,9 @@ def get_dtype_dict (dtype: str, target: str, rank = None, int_len_printf = None)
'default_prec' : '64', 'default_prec' : '64',
f'group_{target}_dtype' : 'double', f'group_{target}_dtype' : 'double',
f'group_{target}_h5_dtype' : 'native_double', f'group_{target}_h5_dtype' : 'native_double',
f'group_{target}_f_dtype_default' : 'real(8)', f'group_{target}_f_dtype_default' : 'real(c_double)',
f'group_{target}_f_dtype_double' : 'real(8)', f'group_{target}_f_dtype_double' : 'real(c_double)',
f'group_{target}_f_dtype_single' : 'real(4)', f'group_{target}_f_dtype_single' : 'real(c_float)',
f'group_{target}_dtype_default' : 'double', f'group_{target}_dtype_default' : 'double',
f'group_{target}_dtype_double' : 'double', f'group_{target}_dtype_double' : 'double',
f'group_{target}_dtype_single' : 'float', f'group_{target}_dtype_single' : 'float',
@ -509,9 +509,9 @@ def get_dtype_dict (dtype: str, target: str, rank = None, int_len_printf = None)
'default_prec' : '32', 'default_prec' : '32',
f'group_{target}_dtype' : 'int64_t', f'group_{target}_dtype' : 'int64_t',
f'group_{target}_h5_dtype' : 'native_int64', f'group_{target}_h5_dtype' : 'native_int64',
f'group_{target}_f_dtype_default' : 'integer(4)', f'group_{target}_f_dtype_default' : 'integer(c_int32_t)',
f'group_{target}_f_dtype_double' : 'integer(8)', f'group_{target}_f_dtype_double' : 'integer(c_int64_t)',
f'group_{target}_f_dtype_single' : 'integer(4)', f'group_{target}_f_dtype_single' : 'integer(c_int32_t)',
f'group_{target}_dtype_default' : 'int32_t', f'group_{target}_dtype_default' : 'int32_t',
f'group_{target}_dtype_double' : 'int64_t', f'group_{target}_dtype_double' : 'int64_t',
f'group_{target}_dtype_single' : 'int32_t', f'group_{target}_dtype_single' : 'int32_t',