Remove NEEDCHILDREN,inlcude and lib dir And move unit_test

scripts/compilation/create_ninja_build.py

@@ -484,7 +484,7 @@ def get_program(path_module):
             return []
 
 
-def get_dict_binaries(mode="development"):
+def get_dict_binaries(mode):
     """
     Return a dict [module] = list_binaries
     If a the production mode is enable only header module will produce binaries
@@ -578,7 +578,7 @@ def ninja_dot_tree_rule():
 
     l_string = ["rule build_dot_tree",
                 "   command = {0}".format(" ; ".join(l_cmd)),
-                "   description = Generate Dot Dependancies Tree of $module"
+                "   description = Generate Dot Dependancies Tree of $module",
                 ""]
 
     return l_string
@@ -652,8 +652,8 @@ if __name__ == "__main__":
     d_genealogy_path = dict_module_genelogy_path(d_genealogy)
     d_irp = get_file_dependency(d_genealogy_path)
 
-    d_binaries_production = get_dict_binaries("production")
-    d_binaries_development = get_dict_binaries("development")
+    d_binaries_production = get_dict_binaries(mode="production")
+    d_binaries_development = get_dict_binaries(mode="development")
 
     # ~#~#~#~#~#~#~#~#~#~#~#~#~ #
     # M o d u l e _ t o _ i r p #

src/NEEDED_MODULES

@@ -1 +0,0 @@
-AOs Integrals_Bielec Bitmask CAS_SD CID CID_SC2_selected CID_selected CIS CISD CISD_SC2_selected CISD_selected DensityFit DDCI_selected Electrons Ezfio_files FCIdump Full_CI Generators_CAS Generators_full Hartree_Fock MOGuess Molden Integrals_Monoelec MOs MP2 MRCC Nuclei Pseudo Selectors_full Utils QmcChem

testing_no_regression/unit_test.py

@@ -44,9 +44,6 @@ def init_folder(geo, basis, mult=1, pseudo=False, ezfio_name=None):
     DO NOT CHECK IS THE EZFIO FOLDER ALREADY EXIST
     '''
 
-    cmd = "cp {0}/tests/{1}.xyz .".format(qpackage_root, geo)
-    subprocess.check_call([cmd], shell=True)
-
     if not ezfio_name:
         ezfio_name = geo
 
@@ -58,9 +55,6 @@ def init_folder(geo, basis, mult=1, pseudo=False, ezfio_name=None):
     subprocess.check_call([cmd.format(basis, mult, geo, ezfio_name)],
                           shell=True)
 
-    subprocess.call(["rm {0}.xyz".format(geo)], shell=True)
-
-
 def get_error_message(l_exepected, l_cur):
     l_msg = ["Need {0} get {1} error is {2}".format(i, j, abs(i - j))
              for i, j in zip(l_exepected, l_cur)]
@@ -335,10 +329,6 @@ def check_convert(path_out):
     # ~#~#~#~#~#~#~#~#~#~#~#~#~ #
     # S e t _ p a r a m e t e r #
     # ~#~#~#~#~#~#~#~#~#~#~#~#~ #
-
-    cmd = "cp {0}/tests/{1} .".format(qpackage_root, path_out)
-    subprocess.check_call([cmd], shell=True)
-
     cmd = "qp_convert_output_to_ezfio.py {0}".format(path_out)
     subprocess.check_call([cmd], shell=True)
 
@@ -359,7 +349,6 @@ def check_convert(path_out):
     ref_e = ref_energy[path_out]
 
     if abs(cur_e - ref_e) <= precision:
-        subprocess.call(["rm {0}".format(path_out)], shell=True)
         subprocess.call(["rm -R {0}.ezfio".format(path_out)], shell=True)
         return True
     else: