Merge pull request #78 from TApplencourt/master

README

.travis.yml

@@ -1,4 +1,8 @@
 sudo: true
+#
+#cache:
+#  directories:
+#  - $HOME/.opam/
 
 language: python
 python:

README.md

@@ -117,3 +117,45 @@ You can type `ninja all` in a module for compiling all the submodule
 
     ssh -fN -D 10000 user@external-server.com
 
+# Note on EZFIO.cfg
+
+##Format specification :
+
+```
+Required:
+    [<provider_name>]   The name of the provider in irp.f90 and in the EZFIO lib
+    doc:<str>           The plain text documentation
+    type:<str>          A Fancy_type supported by the ocaml.
+                            type `ei_handler.py get_supported_type` for a list
+    interface:<str>     The interface is list of string sepeared by ","  who can containt :
+                          - ezfio (if you only whant the ezfiolib)
+                          - provider (if you want the provider)
+                          - ocaml (if you want the ocaml gestion)
+Optional:
+    default: <str>      The default value needed,
+                            if 'ocaml' is in interface list.
+                           ! No list is allowed for now !
+    size: <str>         The size information.
+                            (by default is one)
+                            Example : 1, =sum(ao_num); (ao_num,3)
+    ezfio_name: <str>   The name for the EZFIO lib
+                             (by default is <provider_name>)
+    ezfio_dir: <str>    Will be the folder of EZFIO.
+                              (by default is <module_lower>)
+```
+
+##Example of EZFIO.cfg:
+
+```
+[thresh_SCF]
+doc: Threshold on the convergence of the Hartree Fock energy
+type: Threshold
+default: 1.e-10
+interface: provider,ezfio,ocaml
+size: 1
+
+[energy]
+type: Strictly_negative_float
+doc: Calculated HF energy
+interface: ezfio
+```

scripts/ezfio_interface/ei_handler.py

@@ -10,40 +10,44 @@ Usage:
                   [--ezfio_config]
                   [--ocaml]
                   [--ezfio_default]
+    ei_handler.py list_supported_type
     ei_handler.py ocaml_global
 
 By default all the option are executed.
 
 Options:
     -h --help
-    --irpf90           Create the `ezfio_interface.irpf90`
+    --irpf90        Create the `<module>/ezfio_interface.irpf90`
                          which contains all the providers needed
-                             (aka all with the `interface: input` parameter)
+    --ezfio_config  Create the `<module_lower>_ezfio_interface_config` in
-                             in `${pwd}`
+                          `${QP_EZFIO}/config/`
-    --ezfio_config     Create the `${module_lower}_ezfio_interface_config` in
+    --ocaml         Create all the stuff needed by *qp_edit*:
-                             `${QP_ROOT}/EZFIO/config/`
+                             -`Input_<module_lower>.ml` and
-                       This file is needed by *EZFIO* to create the `libezfio.so`
+                             - <module_lower>_ezfio_interface_default`
-    --ocaml            Create the `Input_module.lower.ml` for the *qp_edit*
+    ocaml_global    Create the *qp_edit*
-    --ezfio_default    Create the `${module_lower}_ezfio_interface_default` in
-                             `${QP_ROOT}/data/ezfio_defaults` needed by
-                             the ocaml
-    ocaml_global       Create the qp_edit
 
 Format specification :
-    [provider_name]  | the name of the provider in irp.f90
+
-    doc:{str}        | Is the doc
+Required:
-    Type:{str}       | Is a fancy_type supported by the ocaml
+    [<provider_name>]   The name of the provider in irp.f90 and in the EZFIO lib
-    ezfio_name:{str} | Will be the name of the file for the ezfio
+    doc:<str>           The plain text documentation
-                       (optional by default is the name of the provider)
+    type:<str>          A Fancy_type supported by the ocaml.
-    interface:{str}  | The provider is string sepeared by "," who can containt
+                            type `ei_handler.py get_supported_type` for a list
-                        ezfio (if you only whant the ezfiolib)
+    interface:<str>     The interface is list of string sepeared by ","  who can containt :
-                        provider (if you want the provider)
+                          - ezfio (if you only whant the ezfiolib)
-                        ocaml (if you want the ocaml gestion)
+                          - provider (if you want the provider)
-                        So for example:
+                          - ocaml (if you want the ocaml gestion)
-                         interface: provider,ezfio,ocaml
+Optional:
-    default:{str}    | The default value if 'ocam' in interface:
+    default: <str>      The default value needed,
-    size:{str}       | the size information
+                            if 'ocaml' is in interface list.
-                        (like 1 or =sum(ao_num) or (ao_num,3) )
+                           ! No list is allowed for now !
+    size: <str>         The size information.
+                            (by default is one)
+                            Example : 1, =sum(ao_num); (ao_num,3)
+    ezfio_name: <str>   The name for the EZFIO lib
+                             (by default is <provider_name>)
+    ezfio_dir: <str>    Will be the folder of EZFIO.
+                              (by default is <module_lower>)
 
 Example of EZFIO.cfg:
 ```
@@ -198,19 +202,6 @@ def get_dict_config_file(module_obj):
                                       size,
                                       interface,
                                       default}
-
-    - Type       : Is a Type named tuple who containt
-                    fortran and ocaml type
-    - doc        : Is the doc
-    - ezfio_name : Will be the name of the file
-    - ezfio_dir  : Will be the folder who containt the ezfio_name
-        * /ezfio_dir/ezfio_name
-        * equal to MODULE_lower name by default.
-    - interface  : The provider is lit of [provider,ezfio,ocaml]
-    - default : The default value /!\ stored in a Type named type!
-                   if interface == input
-    - size : Is the string read in ezfio.cgf who containt the size information
-         (like 1 or =sum(ao_num))
     """
     # ~#~#~#~ #
     # I n i t #
@@ -730,9 +721,9 @@ def code_generation(arguments, dict_ezfio_cfg, m):
         str_ezfio_config = create_ezfio_config(dict_ezfio_cfg)
         save_ezfio_config(module_lower, str_ezfio_config)
 
-    # ~#~#~#~#~#~#
+    # ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
-    # O c a m l #
+    # O c a m l & e z f i o _ d e f a u l t #
-    # ~#~#~#~#~#~#
+    # ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
     if do_all or arguments["--ocaml"]:
         try:
             str_ocaml_input = create_ocaml_input(dict_ezfio_cfg, module_lower)
@@ -741,20 +732,19 @@ def code_generation(arguments, dict_ezfio_cfg, m):
         else:
             save_ocaml_input(module_lower, str_ocaml_input)
 
-    # ~#~#~#~#~#~#~#~#~#~#~#~#~ #
-    # e z f i o _ d e f a u l t #
-    # ~#~#~#~#~#~#~#~#~#~#~#~#~ #
-    if do_all or arguments["--ezfio_default"]:
         str_ezfio_default = create_ezfio_default(dict_ezfio_cfg)
         save_ezfio_default(module_lower, str_ezfio_default)
 
-
 if __name__ == "__main__":
     arguments = docopt(__doc__)
     # ___
     #  |  ._  o _|_
     # _|_ | | |  |_
     #
+    if arguments["list_supported_type"]:
+        for i in get_type_dict():
+            print i
+        sys.exit(0)
 
     if arguments["ocaml_global"]:
 
@@ -763,7 +753,6 @@ if __name__ == "__main__":
         # ~#~#~#~# #
 
         l_module = get_l_module_with_auto_generate_ocaml_lower()
-        print l_module
 
         str_ocaml_qp_edit, str_ocaml_input_auto = create_ocaml_input_global(l_module)
         save_ocaml_input_auto(str_ocaml_input_auto)

scripts/module/module_handler.py

@@ -175,8 +175,16 @@ class ModuleHandler():
                     draw_module_edge(children, d_ref[children])
                 all_ready_done.append(module)
 
+        path = '{0}.png'.format("tree_dependency")
+
         # Init
+        try:
             graph = pydot.Dot(graph_type='digraph')
+        except:
+            with open(path, 'a'):
+                os.utime(path, None)
+            return
+
         d_ref = self.dict_child
 
         # Create all the edge
@@ -186,7 +194,6 @@ class ModuleHandler():
             draw_module_edge(module, d_ref[module])
 
         # Save
-        path = '{0}.png'.format("tree_dependency")
         graph.write_png(path)