Remove check_dependencies.sh, is no handle by module_handler.py

scripts/.gitignore

@@ -1,2 +1,3 @@
 *.pyc
 *.pyo
+docopt.py

scripts/check_dependencies.sh

@@ -1,64 +0,0 @@
-#!/bin/bash
-# 
-# usage:
-#  check_dependencies.sh MOs AOs Electrons
-#
-# Checks that the list of dependencies given in
-# argument is consistent. If the dependencies
-# are OK the exit code is 0, otherwise it is 1. 
-# If no argument is given, the dependencies are
-# read in the Makefile.
-# Thu Apr  3 01:44:23 CEST 2014
-
-if [[ -z ${QPACKAGE_ROOT} ]]
-then
-  print "The QPACKAGE_ROOT environment variable is not set."
-  print "Please reload the quantum_package.rc file."
-  exit -1
-fi
-source ${QPACKAGE_ROOT}/scripts/qp_include.sh
-
-if [[ -z $1 ]]
-then
-  exit 0
-fi
-
-if [[ $1 == "-" ]]
-then
-
-  COMMAND_LINE=$(module_handler.py print_genealogy NEEDED_MODULES)
-else
-  COMMAND_LINE=$(unique_list $@)
-fi
-
-for d in $COMMAND_LINE
-do
-  if [[ ! -d ${QPACKAGE_ROOT}/src/$d ]]
-  then
-    echo Error: Directory $d does not exist 
-    exit 2
-  fi
-
-done
-
-DEPS_LONG=""
-for i in $COMMAND_LINE
-do
-  DEPS_LONG+=" $i "
-  DEPS_LONG+=$(module_handler.py print_genealogy "${QPACKAGE_ROOT}/src/${i}/NEEDED_MODULES")
-done
-
-DEPS=$(unique_list $DEPS_LONG)
-
-if [[ ! "$COMMAND_LINE" == "$DEPS" ]]
-then
-  DEPS=$(${QPACKAGE_ROOT}/scripts/check_dependencies.sh ${DEPS})
-fi
-echo "$DEPS"
-
-if [[ "$COMMAND_LINE" == "$DEPS" ]]
-then
-  exit 0
-else
-  exit 1
-fi

scripts/create/create_Needed_modules.sh

@@ -14,7 +14,5 @@ source ${QPACKAGE_ROOT}/scripts/qp_include.sh
 
 check_current_dir_is_module
 
-OUTPUT=$(${QPACKAGE_ROOT}/scripts/check_dependencies.sh $@)
+OUTPUT=$(module_handler.py check_dependencies $@)
-echo ${OUTPUT} > NEEDED_MODULES
+echo $@ > NEEDED_CHILDREN_MODULES
-
-

scripts/create/create_module.sh

@@ -126,7 +126,7 @@ debug "Makefile created"
 
 # Create the NEEDED_MODULES file
 "${QPACKAGE_ROOT}/scripts/create/create_Needed_modules.sh" ${NEEDED_MODULES} || fail "Unable to create the NEEDED_MODULES file"
-if [[ ! -f NEEDED_MODULES ]]
+if [[ ! -f NEEDED_CHILDREN_MODULES ]]
 then
   fail "NEEDED_MODULES was not created"
 fi

scripts/module/module_handler.py

@@ -7,14 +7,16 @@ Create the NEEDED_MODULE
 of a NEEDED_CHILDREN_MODULES file
 
 Usage:
-    module_handler.py   print_genealogy [<NEEDED_CHILDREN_MODULES>]
+    module_handler.py print_genealogy    [<NEEDED_CHILDREN_MODULES>]
-    module_handler.py   create_png      [<NEEDED_CHILDREN_MODULES>]
+    module_handler.py check_dependencies   [<module_name>...]
+    module_handler.py create_png         [<NEEDED_CHILDREN_MODULES>]
 
 Options:
-    print_genealogy    Print the genealogy of the NEEDED_CHILDREN_MODULES
+    print_genealogy         Print the genealogy of the NEEDED_CHILDREN_MODULES
-                            aka (children, subchildren, etc)
+                                 aka (children, subchildren, etc)
-                        if NEEDED_CHILDREN_MODULES
+    create_png              Create a png of the file
-                            try to open it in the current path
+    NEEDED_CHILDREN_MODULES The path of NEEDED_CHILDREN_MODULES
+                                by default try to open the file in the current path
 """
 
 from docopt import docopt
@@ -73,8 +75,9 @@ def module_genealogy(path):
     try:
         with open(path, "r") as f:
             l_children = f.read().split()
-    except IOError:
+    except IOError as e:
-        return []
+        print >> sys.stderr, e
+        sys.exit(1)
     else:
 
         needed_module = get_it_and_children(l_children)
@@ -169,6 +172,7 @@ def create_png(l_module):
 
     # Save
     path = '{0}.png'.format("_".join(l_module))
+    print "png saved in {0}".format(path)
     graph.write_png(path)
 
 if __name__ == '__main__':
@@ -187,5 +191,12 @@ if __name__ == '__main__':
         l_all_needed_molule = module_genealogy(path)
         print " ".join(sorted(l_all_needed_molule))
 
-    if arguments["create_png"]:
+    elif arguments["check_dependencies"]:
+        l_module = arguments['<module_name>']
+        if l_module:
+            l_all_needed_molule = get_it_and_children(l_module)
+        else:
+            l_all_needed_molule = module_genealogy(path)
+
+    elif arguments["create_png"]:
         create_png_from_path(path)

scripts/run_Makefile_common.sh

@@ -14,7 +14,7 @@ check_current_dir_is_module
 
 # Check if the NEEDED_MODULES file is consistent
 INCLUDE_DIRS="${NEEDED_MODULES} include"
-NEEDED_MODULES_OK=$( ${QPACKAGE_ROOT}/scripts/check_dependencies.sh ${NEEDED_MODULES} )
+NEEDED_MODULES_OK=$(module_handler.py check_dependencies ${NEEDED_MODULES} )
 if [[ $? -ne 0 ]] 
 then
   error "

src/NEEDED_MODULES

@@ -1 +1 @@
-AOs Bielec_integrals Bitmask CID CID_SC2_selected CID_selected CIS CISD CISD_selected CISD_SC2_selected Determinants Electrons Ezfio_files Full_CI Generators_full Hartree_Fock MOGuess MonoInts MOs MP2 Nuclei Output Selectors_full Utils Molden FCIdump Generators_CAS CAS_SD DDCI_selected MRCC Pseudo_integrals
+AOs Bielec_integrals Bitmask CAS_SD CID CID_SC2_selected CID_selected CIS CISD CISD_SC2_selected CISD_selected DDCI_selected Determinants Electrons Ezfio_files FCIdump Full_CI Generators_CAS Generators_full Hartree_Fock MOGuess MOs MP2 MRCC Molden MonoInts Nuclei Output Perturbation Properties Pseudo_integrals Selectors_full SingleRefMethod Utils Toto