Modif ezfio_default for reflection the new change in default. Add ezfio_generate_provider who is the new version of the program

scripts/ezfio_generate_provider.py

@@ -0,0 +1,142 @@
+#!/usr/bin/env python
+
+__author__ = "Anthony Scemama and Applencourt for the amazing PEP8"
+__date__ = "jeudi 26 mars 2015, 12:49:35 (UTC+0100)"
+
+"""
+Creates the provider of a variable that has to be
+fetched from the EZFIO file.
+"""
+
+import sys
+import os
+
+
+class EZFIO_Provider(object):
+
+    data = """BEGIN_PROVIDER [ %(type)s, %(name)s ]
+  implicit none
+  BEGIN_DOC
+!  %(doc)s
+  END_DOC
+
+  logical                        :: has
+  PROVIDE ezfio_filename
+  call ezfio_has_%(ezfio_dir)s_%(ezfio_name)s(has)
+  if (has) then
+    call ezfio_get_%(ezfio_dir)s_%(ezfio_name)s(%(name)s)
+  else
+    %(default)s
+  endif
+  %(write)s
+
+END_PROVIDER
+"""
+
+    write_correspondance = {"integer": "write_int",
+                            "logical": "write_bool",
+                            "double precision": "write_double"}
+
+    def __init__(self):
+        self.values = "type doc default name ezfio_dir ezfio_name write output".split()
+        for v in self.values:
+            exec "self.%s = None" % (v) in locals()
+
+    def __repr__(self):
+        if not self.default:
+            self.get_default()
+        self.set_write()
+        for v in self.values:
+            exec "test = self.%s is None" % (v) in locals()
+            if test:
+                msg = "Error : %s is not set in ezfio_with_default.py" % (v)
+                print >>sys.stderr, msg
+                for v in self.values:
+                    exec "x = str(self.%s)" % (v) in locals()
+                    print >>sys.stderr, "%s : %s" % (v, x)
+                sys.exit(1)
+        return self.data % self.__dict__
+
+    def set_write(self):
+        self.write = ""
+        if self.type in self.write_correspondance:
+            write = self.write_correspondance[self.type]
+            output = self.output
+            name = self.name
+            self.write = """
+  call write_time(%(output)s)
+  call %(write)s(%(output)s, %(name)s, &
+      '%(name)s')""" % locals()
+
+    def set_type(self, t):
+        self.type = t.lower()
+
+    def set_doc(self, t):
+        self.doc = t.replace('\n', '\n! ')
+
+    def set_name(self, t):
+        self.name = t
+
+    def set_ezfio_dir(self, t):
+        self.ezfio_dir = t.lower()
+
+    def set_ezfio_name(self, t):
+        self.ezfio_name = t.lower()
+
+    def set_output(self, t):
+        self.output = t
+
+    def set_default(self, t):
+        self.default = t
+
+    def get_default(self):
+        filename = '/'.join([os.environ['QPACKAGE_ROOT'],
+                             'data',
+                             'ezfio_defaults'])
+
+        with open(filename, 'r') as f:
+            lines = f.readlines()
+
+        # Search directory
+        for k, line in enumerate(lines):
+            if line[0] != ' ':
+                if line.strip().lower() == self.ezfio_dir:
+                    break
+        if k + 1 == len(lines):
+            return
+        # Search name
+        while k < len(lines):
+            k += 1
+            buffer = lines[k].split()
+            if len(buffer) == 0:
+                return
+            if buffer[0].lower() == self.ezfio_name:
+                break
+        v = buffer[1]
+        name = self.name
+        try:
+            v_eval = eval(v)
+            if isinstance(v_eval, bool):
+                v = '.%s.' % (v)
+            elif isinstance(v_eval, float):
+                v = v.replace('e', 'd')
+                v = v.replace('E', 'D')
+            v = "%(name)s = %(v)s" % locals()
+        except:
+            v = "call ezfio_get_%(v)s(%(name)s)" % locals()
+        self.default = v
+
+
+def test_module():
+    T = EZFIO_Provider()
+    T.set_type("double precision")
+    T.set_name("thresh_SCF")
+    T.set_doc("Threshold on the convergence of the Hartree Fock energy")
+    T.set_ezfio_dir("Hartree_Fock")
+    T.set_ezfio_name("thresh_SCF")
+    T.set_output("output_Hartree_Fock")
+    print T
+
+
+if __name__ == '__main__':
+    test_module()

scripts/ezfio_interface.py

@@ -260,7 +260,7 @@ def create_ezfio_provider(dict_ezfio_cfg):
     create the a list who containt all the code for the provider
     return [code, ...]
     """
-    from ezfio_with_default import EZFIO_Provider
+    from ezfio_generate_provider import EZFIO_Provider
 
     dict_code_provider = dict()
 
@@ -274,11 +274,11 @@ def create_ezfio_provider(dict_ezfio_cfg):
             ez_p.set_ezfio_name(dict_info['ezfio_name'])
 
             str_ = "\n".join(["         print *, '{0}/{1} not found in EZFIO file'",
-                              "         stop 1" ])
-  
+                              "         stop 1"])
+
             str_ = str_.format(dict_info['ezfio_dir'],
-                              dict_info['ezfio_name'])
-           
+                               dict_info['ezfio_name'])
+
             ez_p.set_default(str_)
 
             ez_p.set_output("output_%s" % dict_info['ezfio_dir'])

scripts/ezfio_with_default.py

@@ -1,7 +1,7 @@
 #!/usr/bin/env python
 
-__author__ = "Anthony Scemama and Applencourt for the amazing PEP8"
-__date__ = "jeudi 26 mars 2015, 12:49:35 (UTC+0100)"
+__author__ = "Anthony Scemama"
+__date__ = "Tue Jul 29 12:20:00 CEST 2014"
 
 """
 Creates the provider of a variable that has to be
@@ -14,9 +14,9 @@ import os
 
 class EZFIO_Provider(object):
 
-    data = """BEGIN_PROVIDER [ %(type)s, %(name)s ]
+  data = """BEGIN_PROVIDER [ %(type)s, %(name)s ]
   implicit none
-  BEGIN_DOC
+  BEGIN_DOC  
 !  %(doc)s
   END_DOC
 
@@ -33,110 +33,118 @@ class EZFIO_Provider(object):
 END_PROVIDER
 """
 
-    write_correspondance = {"integer": "write_int",
-                            "logical": "write_bool",
-                            "double precision": "write_double"}
+  write_correspondance = {
+    "integer" : "write_int",
+    "logical" : "write_bool",
+    "double precision" : "write_double" }
 
-    def __init__(self):
-        self.values = "type doc default name ezfio_dir ezfio_name write output".split()
+  def __init__(self):
+    self.values = "type doc default name ezfio_dir ezfio_name write output".split()
+    for v in self.values:
+      exec "self.%s = None"%(v) in locals()
+
+  def __repr__(self):
+    self.get_default()
+    self.set_write()
+    for v in self.values:
+      exec "test = self.%s is None"%(v) in locals()
+      if test:
+        print >>sys.stderr, "Error : %s is not set in ezfio_with_default.py"%(v)
         for v in self.values:
-            exec "self.%s = None" % (v) in locals()
+          exec "x = str(self.%s)"%(v) in locals()
+          print >>sys.stderr, "%s : %s"%(v, x)
+        sys.exit(1)
+    return self.data%self.__dict__
 
-    def __repr__(self):
-        if not self.default:
-            self.get_default()
-        self.set_write()
-        for v in self.values:
-            exec "test = self.%s is None" % (v) in locals()
-            if test:
-                msg = "Error : %s is not set in ezfio_with_default.py" % (v)
-                print >>sys.stderr, msg
-                for v in self.values:
-                    exec "x = str(self.%s)" % (v) in locals()
-                    print >>sys.stderr, "%s : %s" % (v, x)
-                sys.exit(1)
-        return self.data % self.__dict__
-
-    def set_write(self):
-        self.write = ""
-        if self.type in self.write_correspondance:
-            write = self.write_correspondance[self.type]
-            output = self.output
-            name = self.name
-            self.write = """
+  def set_write(self):
+    self.write = ""
+    if self.type in self.write_correspondance:
+      write = self.write_correspondance[self.type]
+      output = self.output
+      name = self.name
+      self.write = """
   call write_time(%(output)s)
   call %(write)s(%(output)s, %(name)s, &
-      '%(name)s')""" % locals()
+      '%(name)s')
+      """%locals()
 
-    def set_type(self, t):
-        self.type = t.lower()
+  def set_type(self,t):
+    self.type = t.lower()
 
-    def set_doc(self, t):
-        self.doc = t.replace('\n', '\n! ')
+  def set_doc(self,t):
+    self.doc = t.replace('\n', '\n! ')
 
-    def set_name(self, t):
-        self.name = t
+  def set_name(self,t):
+    self.name = t
 
-    def set_ezfio_dir(self, t):
-        self.ezfio_dir = t.lower()
+  def set_ezfio_dir(self,t):
+    self.ezfio_dir = t.lower()
 
-    def set_ezfio_name(self, t):
-        self.ezfio_name = t.lower()
+  def set_ezfio_name(self,t):
+    self.ezfio_name = t.lower()
 
-    def set_output(self, t):
-        self.output = t
+  def set_output(self,t):
+    self.output = t
 
-    def set_default(self, t):
-        self.default = t
+  def set_default(self,t):
+    self.default = t
 
-    def get_default(self):
-        filename = '/'.join([os.environ['QPACKAGE_ROOT'],
-                             'data',
-                             'ezfio_defaults'])
+  def get_default(self):
 
-        with open(filename, 'r') as f:
-            lines = f.readlines()
+    from os import listdir
+    from os.path import isfile, join
 
-        # Search directory
-        for k, line in enumerate(lines):
-            if line[0] != ' ':
-                if line.strip().lower() == self.ezfio_dir:
-                    break
-        if k + 1 == len(lines):
-            return
-        # Search name
-        while k < len(lines):
-            k += 1
-            buffer = lines[k].split()
-            if len(buffer) == 0:
-                return
-            if buffer[0].lower() == self.ezfio_name:
-                break
-        v = buffer[1]
-        name = self.name
-        try:
-            v_eval = eval(v)
-            if isinstance(v_eval, bool):
-                v = '.%s.' % (v)
-            elif isinstance(v_eval, float):
-                v = v.replace('e', 'd')
-                v = v.replace('E', 'D')
-            v = "%(name)s = %(v)s" % locals()
-        except:
-            v = "call ezfio_get_%(v)s(%(name)s)" % locals()
-        self.default = v
+    mypath = '/'.join( [os.environ['QPACKAGE_ROOT'], 'data', 'ezfio_defaults','/'])
+    onlyfiles = [ f for f in listdir(mypath) if isfile(join(mypath,f)) ]
+
+    lines= []
+    for filename in onlyfiles: 
+      file = open(mypath+filename,'r')
+      lines.extend(file.readlines()[:])
+      file.close()
+
+    # Search directory
+    for k,line in enumerate(lines):
+      if line[0] != ' ':
+        if line.strip().lower() == self.ezfio_dir:
+          break
+    if k+1 == len(lines):
+       return
+    # Search name
+    while k < len(lines):
+      k+=1
+      buffer = lines[k].split()
+      if len(buffer) == 0:
+        return
+      if buffer[0].lower() == self.ezfio_name:
+        break
+    v = buffer[1]
+    name = self.name
+    try:
+      v_eval = eval(v)
+      if type(v_eval) == bool:
+        v = '.%s.'%(v)
+      elif type(v_eval) == float:
+        v = v.replace('e','d')
+        v = v.replace('E','D')
+      v = "%(name)s = %(v)s"%locals()
+    except:
+      v = "call ezfio_get_%(v)s(%(name)s)"%locals()
+    self.default = v
 
 
 def test_module():
-    T = EZFIO_Provider()
-    T.set_type("double precision")
-    T.set_name("thresh_SCF")
-    T.set_doc("Threshold on the convergence of the Hartree Fock energy")
-    T.set_ezfio_dir("Hartree_Fock")
-    T.set_ezfio_name("thresh_SCF")
-    T.set_output("output_Hartree_Fock")
-    print T
-
+  T = EZFIO_Provider()
+  T.set_type      ( "double precision" )
+  T.set_name      ( "thresh_SCF" )
+  T.set_doc       ( "Threshold on the convergence of the Hartree Fock energy" )
+  T.set_ezfio_dir ( "Hartree_Fock" )
+  T.set_ezfio_name( "thresh_SCF" )
+  T.set_output    ( "output_Hartree_Fock" )
+  print T
+  
 
 if __name__ == '__main__':
-    test_module()
+  test_module()
+
+