New Working (maybe?) makefile

scripts/ezfio_interface/ei_handler.py

@@ -5,13 +5,14 @@ Welcom the ei_handler.
 We will create all the ezfio related stuff from a EZFIO.cfg file.
 
 Usage:
-    ei_handler.py [--path] [--irpf90] [--ezfio_config] [--ocaml] [--ezfio_default] [--global]
+    ei_handler.py [--recursif] [--irpf90] [--ezfio_config] [--ocaml] [--ezfio_default]
+    ei_handler.py ocaml_global
 
 By default all the option are executed.
 
 Options:
     -h --help
-    --path             The path of the `EZFIO.cfg`, by default will look in the ${pwd}
+    --recursif         Folow the dependancy of the module
     --irpf90           Create the `ezfio_interface.irpf90`
                              which contains all the providers needed
                              (aka all with the `interface: input` parameter)
@@ -23,7 +24,7 @@ Options:
     --ezfio_default    Create the `${module_lower}_ezfio_interface_default` in
                              `${QPACKAGE_ROOT}/data/ezfio_defaults` needed by
                              the ocaml
-    --global           Create all the stuff who need all the EZFIO.cfg
+    ocaml_global       Create the qp_edit
 
 Format specification :
     [provider_name]  | the name of the provider in irp.f90
@@ -62,9 +63,12 @@ import ConfigParser
 from collections import defaultdict
 from collections import namedtuple
 
-
 from cache import cache
 
+
+from os import listdir
+from os.path import isdir, join, exists, islink
+
 Type = namedtuple('Type', 'fancy ocaml fortran')
 
 
@@ -632,9 +636,6 @@ def get_l_module_lower():
     # L _ f o l d e r #
     # ~#~#~#~#~#~#~#~ #
 
-    from os import listdir
-    from os.path import isdir, join, exists
-
     l_folder = [f for f in listdir(mypath) if isdir(join(mypath, f))]
 
     # ~#~#~#~#~#~#~#~#~#~#~#~#~#~ #
@@ -738,42 +739,10 @@ def save_ocaml_qp_edit(str_ocaml_qp_edit):
             f.write(str_ocaml_qp_edit)
 
 
-if __name__ == "__main__":
+def code_generation(arguments, dict_ezfio_cfg, m):
-    arguments = docopt(__doc__)
-    # ___
-    #  |  ._  o _|_
-    # _|_ | | |  |_
-    #
 
-    if not arguments["--global"]:
+    module_lower = m.lower
-        if not arguments["--path"]:
+    path_dirname = m.path.replace("/EZFIO.cfg", "")
-            config_file_path = "EZFIO.cfg"
-            if "EZFIO.cfg" not in os.listdir(os.getcwd()):
-                sys.exit(0)
-        else:
-            config_file_path = arguments["path"]
-
-        # Get the full path
-        config_file_path = os.path.expanduser(config_file_path)
-        config_file_path = os.path.expandvars(config_file_path)
-        config_file_path = os.path.abspath(config_file_path)
-
-        # ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
-        #  G e t _ m o d u l e _ d i r #
-        # ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
-
-        path_dirname = os.path.dirname(config_file_path)
-        module = [i for i in path_dirname.split("/") if i][-1]
-        module_lower = module.lower()
-
-        # Because we only authorise this right now!
-        ezfio_dir = module_lower
-        dict_ezfio_cfg = get_dict_config_file(config_file_path, ezfio_dir)
-
-    #  _
-    # /   _   _|  _     _   _  ._   _  ._ _. _|_ o  _  ._
-    # \_ (_) (_| (/_   (_| (/_ | | (/_ | (_|  |_ | (_) | |
-    #                   _|
 
     # ~#~#~#~#~#~#~#~#~#~ #
     # W h a t _ t o _ d o #
@@ -822,11 +791,61 @@ if __name__ == "__main__":
         str_ezfio_default = create_ezfio_default(dict_ezfio_cfg)
         save_ezfio_default(module_lower, str_ezfio_default)
 
-    # ~#~#~#~#~#~#~#~#~#~#~#~#~ #
-    # e z f i o _ d e f a u l t #
-    # ~#~#~#~#~#~#~#~#~#~#~#~#~ #
 
-    if do_all:
+if __name__ == "__main__":
+    arguments = docopt(__doc__)
+    # ___
+    #  |  ._  o _|_
+    # _|_ | | |  |_
+    #
+
+    if arguments["ocaml_global"]:
         str_ocaml_qp_edit, str_ocaml_input_auto = create_ocaml_input_global()
         save_ocaml_input_auto(str_ocaml_input_auto)
         save_ocaml_qp_edit(str_ocaml_qp_edit)
+        sys.exit(0)
+
+    # ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
+    #  G e t _ m o d u l e _ d i r #
+    # ~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
+
+    path_dirname = os.getcwd()
+    root_module = [i for i in path_dirname.split("/") if i][-1]
+
+    # ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
+    #  G e t _ l _ d i c t _ e z f i o _ c f g #
+    # ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~#~# #
+
+    if arguments["--recursif"]:
+        def true_link(f):
+            return islink(join(path_dirname, f))
+
+        l_symlink = [f for f in listdir(path_dirname) if true_link(f)]
+    else:
+        l_symlink = []
+
+    l_module = [root_module] + l_symlink
+
+    def check_ezfio(f):
+        return exists()
+
+    qpackage_root_src = join(os.environ['QPACKAGE_ROOT'], "src")
+
+    l_module_with_ezfio = []
+
+    Module = namedtuple('Module', 'path lower')
+
+    for f in l_module:
+        path = join(qpackage_root_src, f, "EZFIO.cfg")
+        if exists(path):
+            l_module_with_ezfio.append(Module(path, f.lower()))
+
+    l_dict_ezfio_cfg = [(get_dict_config_file(m.path, m.lower), m) for m in l_module_with_ezfio]
+
+    #  _
+    # /   _   _|  _     _   _  ._   _  ._ _. _|_ o  _  ._
+    # \_ (_) (_| (/_   (_| (/_ | | (/_ | (_|  |_ | (_) | |
+    #                   _|
+
+    for (dict_ezfio_cfg, m) in l_dict_ezfio_cfg:
+        code_generation(arguments, dict_ezfio_cfg, m)

scripts/ezfio_interface/prepare_ezfio.sh

@@ -9,7 +9,7 @@ echo "=-=-=-=-=-=-=-=-=-=-=-"
 for dir in ${QPACKAGE_ROOT}/src/*/ 
 do 
   cd $dir || exit -1
-  ${QPACKAGE_ROOT}/scripts/ezfio_interface/ei_handler.py
+  ${QPACKAGE_ROOT}/scripts/ezfio_interface/ei_handler.py --ezfio_config --ezfio_default
 done
 
 # For old-style directories. Will be removed some day...

scripts/module/build_modules.sh

@@ -18,15 +18,6 @@ do
   cd ${MODULE}
   echo ${MODULE}  
 
-  # Update Makefile.depend
-  ${QPACKAGE_ROOT}/scripts/module/check_module.sh
-
-  # Update EZFIO interface (create the irp.f90 and the ocaml)
-  ${QPACKAGE_ROOT}/scripts/ezfio_interface/ei_handler.py --irpf90 --ocaml
-
-  # Create symlink
-  ${QPACKAGE_ROOT}/scripts/module/module_handler.py create_symlick
-
   if [[ $# -eq 1 ]] 
   then
     env make -j ${NPROC} all 
@@ -40,14 +31,6 @@ Build failed for module $MODULE
 "
     fi
   fi
-  # Create gitignore
-  ${QPACKAGE_ROOT}/scripts/module/create_gitignore.sh
-
-  # Create png
-  ${QPACKAGE_ROOT}/scripts/module/module_handler.py create_png
-
-  # Create png
-  ${QPACKAGE_ROOT}/scripts/module/update_README.py
 
   cd ${OLDPWD}
 done

scripts/module/module_handler.py

@@ -9,7 +9,7 @@ of a NEEDED_CHILDREN_MODULES file
 Usage:
     module_handler.py print_genealogy       [<NEEDED_CHILDREN_MODULES>]
     module_handler.py save_makefile_depend
-    module_handler.py create_symlick        [<NEEDED_CHILDREN_MODULES>]
+    module_handler.py create_symlink        [<NEEDED_CHILDREN_MODULES>]
     module_handler.py create_png            [<NEEDED_CHILDREN_MODULES>]
 
 Options:
@@ -249,7 +249,7 @@ if __name__ == '__main__':
 
         get_list_depend(l_all_needed_molule)
 
-    if arguments['create_symlick']:
+    if arguments['create_symlink']:
         src = os.getcwd()
 
         for link_name in module_genealogy(path) + ["include"]:

scripts/module/update_README.py

@@ -17,7 +17,7 @@ import subprocess
 
 header = """
 .. Do not edit this section. It was auto-generated from the
-.. NEEDED_MODULES file.
+.. update_README.py.
 
 """
 
@@ -74,7 +74,7 @@ def update_assumptions(data):
 
 
 def update_needed(data):
-    """Read the NEEDED_MODULES file, and replace the data with it.
+    """Read the NEEDED_CHILDREN_MODULES file, and replace the data with it.
     Create the links to the GitHub pages."""
 
     file = open('NEEDED_CHILDREN_MODULES', 'r')

scripts/qp_include.sh

@@ -24,11 +24,16 @@ function check_current_dir_is_src()
 
 function check_current_dir_is_module()
 {
-  if [[ "$(dirname $PWD)" == "${QPACKAGE_ROOT}/src" ]]
+  # If the prefix ${QPACKAGE_ROOT}/src/ can be removed from $PWD, it means that
+  # $PWD is somewhere below ${QPACKAGE_ROOT}/src/ so it is a module.
+  # If the prefix ${QPACKAGE_ROOT}/src/ can not be removed from $PWD, then
+  # "${PWD##${QPACKAGE_ROOT}/src/}" == "$PWD".
+
+  if [[ "${PWD##${QPACKAGE_ROOT}/src/}" != "$PWD" ]]
   then
      return 0
   else
-     echo "Current directory should be \$QPACKAGE_ROOT/src"
+     echo "You are not in a submodule"
      exit -1
   fi
 }

src/Hartree_Fock/README.rst

@@ -8,7 +8,7 @@ Needed Modules
 ==============
 
 .. Do not edit this section. It was auto-generated from the
-.. NEEDED_MODULES file.
+.. update_README.py.
 
 .. image:: tree_dependancy.png
 
@@ -19,7 +19,7 @@ Documentation
 =============
 
 .. Do not edit this section. It was auto-generated from the
-.. NEEDED_MODULES file.
+.. update_README.py.
 
 `ao_bi_elec_integral_alpha <http://github.com/LCPQ/quantum_package/tree/master/src/Hartree_Fock/Fock_matrix.irp.f#L102>`_
   Alpha Fock matrix in AO basis set

src/Makefile.common

@@ -1,17 +1,5 @@
-.PHONY: default silent
+.PHONY: default 
-
+.SECONDARY: symlink ezfio_interface
-ifneq ($(IN_MAKE),1) 
-
-default:
-	@$(MAKE) -C $(QPACKAGE_ROOT)/src $$(basename $(PWD))
-
-veryclean:
-	 clean_modules.sh
-
-clean:
-	IN_MAKE=1 make clean
-
-else  # Called by scripts/build_module.sh
 
 default: all .gitignore
 
@@ -21,9 +9,6 @@ include $(QPACKAGE_ROOT)/src/Makefile.config
 # Create the NEEDED_CHILDREN_MODULES variable, needed for IRPF90
 NEEDED_CHILDREN_MODULES=$(shell module_handler.py print_genealogy)
 
-# Check and update dependencies
-include Makefile.depend
-
 # Define the Makefile common variables
 EZFIO_DIR=$(QPACKAGE_ROOT)/EZFIO
 EZFIO=$(EZFIO_DIR)/lib/libezfio_irp.a
@@ -36,21 +21,47 @@ LIB+=$(EZFIO) $(MKL)
 IRPF90+=$(patsubst %, -I %, $(INCLUDE_DIRS)) $(IRPF90_FLAGS)
 
 # Update Makefile.depend
-Makefile.depend: $(wildcart */Makefile)
+Makefile.depend: $(wildcard */Makefile)
 	${QPACKAGE_ROOT}/scripts/module/module_handler.py save_makefile_depend
 
-irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard *.inc.f) Makefile.depend Makefile $(EZFIO) NEEDED_CHILDREN_MODULES $(wildcard *.py) 
+# Check and update dependencies
-	- $(IRPF90)
+include Makefile.depend
-	- update_README.py
+
+# Create symlink
+symlink: $(wildcard $(QPACKAGE_ROOT)/src/*/NEEDED_CHILDREN_MODULES)
+	${QPACKAGE_ROOT}/scripts/module/module_handler.py create_symlink
+
+# Define the EZFIO rules
+$(EZFIO): $(wildcard $(QPACKAGE_ROOT)/src/*/*.ezfio_config) $(wildcard $(QPACKAGE_ROOT)/src/*/EZFIO.cfg)
+	$(QPACKAGE_ROOT)/scripts/ezfio_interface/prepare_ezfio.sh
+	cd $(EZFIO_DIR);\
+	export FC="$(FC)" ; export FCFLAGS="$(FCFLAGS)" ; export IRPF90="$(IRPF90)" ;\
+	$(MAKE) ;\
+	$(MAKE) Python
+
+# Update EZFIO interface (create the irp.f90 and the ocaml)
+ezfio_interface: symlink $(wildcard $(QPACKAGE_ROOT)/src/*/EZFIO.cfg) 
+	${QPACKAGE_ROOT}/scripts/ezfio_interface/ei_handler.py --irpf90 --ocaml --recursif
+
+irpf90.make: $(filter-out IRPF90_temp/%, $(wildcard */*.irp.f)) $(wildcard *.irp.f) $(wildcard .inc.f) Makefile.depend Makefile $(EZFIO) $(wildcard *.py) symlink ezfio_interface
+	$(IRPF90)
 
 include irpf90.make
 
-endif
+# Need NEEDED_CHILDREN_MODULES and IRPMAN
+README.rst: NEEDED_CHILDREN_MODULES irpf90.make
+	${QPACKAGE_ROOT}/scripts/module/update_README.py
 
-.gitignore:
+tree_dependancy.png: NEEDED_CHILDREN_MODULES
-	$(QPACKAGE_ROOT)/scripts/create/create_gitignore.sh 
+	${QPACKAGE_ROOT}/scripts/module/module_handler.py create_png
 
-# Frequent typos
+#Need all the executable 
-clena: clean
+.gitignore: irpf90.make
-veryclena: veryclean
+	${QPACKAGE_ROOT}/scripts/module/create_gitignore.sh
-vercylean: veryclean
+
+# 
+# 
+# # Frequent typos
+# clena: clean
+# veryclena: roger
+# vercylean: roger