Remove ezfio_config

scripts/ezfio_interface/ei_handler.py

@@ -255,7 +255,7 @@ def get_dict_config_file(module_obj):
             sys.exit(1)
 
         try:
-            interface = map(str.lower, config_file.get(section, "interface").split(","))
+            interface = [i.lower().strip() for i in config_file.get(section, "interface").split(",")]
         except ConfigParser.NoOptionError:
             error("doc", pvd, module_obj.path)
             sys.exit(1)

src/Determinants/EZFIO.cfg

@@ -55,58 +55,58 @@ default:        0.999
 [n_states_diag]
 type: integer
 doc: n_states_diag
-interface: ezfio, provider
+interface: ezfio,provider
 
 [n_int]
-interface: ezfio, provider
+interface: ezfio
 doc: n_int
 type: N_int_number
 
 [bit_kind]
-interface: ezfio, provider
+interface: ezfio
 doc: bit_kind
 type: Bit_kind
 
 [mo_label]
-interface: ezfio, provider
+interface: ezfio,provider
 doc: o_label
 type: character*(64)
 
 [n_det]
-interface: ezfio, provider
+interface: ezfio
 doc: n_det
 type: integer
 
 [psi_coef]
-interface: ezfio, provider
+interface: ezfio
 doc: psi_coef
 type: double precision 
 size: (determinants.n_det,determinants.n_states)
 
 [psi_det]
-interface: ezfio, provider
+interface: ezfio
 doc: psi_det
 type: integer*8
 size: (determinants.n_int*determinants.bit_kind/8,2,determinants.n_det)
 
 [det_num]
-interface: ezfio, provider
+interface: ezfio,provider
 doc: det_num
 type: integer
 
 [det_occ]
-interface: ezfio, provider
+interface: ezfio,provider
 doc: det_occ
 type: integer          
 size:  (electrons.elec_alpha_num,determinants.det_num,2)
 
 [det_coef]
-interface: ezfio, provider
+interface: ezfio,provider
 doc: det_coef
 type: double precision 
 size:  (determinants.det_num)
 
 [expected_s2]
-interface: ezfio, provider
+interface: ezfio,provider
 doc: expcted_s2
 type: double precision 

src/Nuclei/EZFIO.cfg

@@ -0,0 +1,22 @@
+[nucl_num]
+doc: Number of nuclei
+type: integer
+interface: ezfio
+
+[nucl_label]
+doc:  Nuclear labels
+type: character*(32) 
+size: (nuclei_nucl_num)
+interface: ezfio
+
+[nucl_charge]
+doc: Nuclear charges
+type:double precision
+size: (nuclei_nucl_num)
+interface: ezfio, provider
+
+[nucl_coord]
+doc:  Nuclear coordinates in the format (:, {x,y,z})
+type: double precision 
+size: (nuclei_nucl_num,3)
+interface: ezfio

src/Nuclei/nuclei.ezfio_config

@@ -1,6 +0,0 @@
-nuclei
-  nucl_num            integer
-  nucl_label          character*(32) (nuclei_nucl_num)
-  nucl_charge         double precision (nuclei_nucl_num)
-  nucl_coord          double precision (nuclei_nucl_num,3)
-