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qp2/scripts/ezfio_interface/ezfio_generate_provider.py
2019-01-25 11:39:31 +01:00

174 lines
4.7 KiB
Python
Executable File

#!/usr/bin/env python2
__author__ = "Applencourt 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
def gen_ezfio_provider_disk_access(name_ref, name):
data = """
BEGIN_PROVIDER [ logical, read_{name} ]
&BEGIN_PROVIDER [ logical, write_{name} ]
BEGIN_DOC
! One level of abstraction for {name}
END_DOC
if ({name_ref}.EQ.'Read') then
read_{name} = .True.
write_{name} = .False.
else if ({name_ref}.EQ.'Write') then
read_{name} = .False.
write_{name} = .True.
else if ({name_ref}.EQ.'None') then
read_{name} = .False.
write_{name} = .False.
else
print *, '{name_ref} has a bad type'
stop 1
endif
END_PROVIDER
"""
return data.format(name=name,name_ref=name_ref)
class EZFIO_Provider(object):
data = """
BEGIN_PROVIDER [ %(type)s, %(name)s %(size)s ]
implicit none
BEGIN_DOC
! %(doc)s
END_DOC
logical :: has
PROVIDE ezfio_filename
if (mpi_master) then
%(test_null_size)s
call ezfio_has_%(ezfio_dir)s_%(ezfio_name)s(has)
if (has) then
write(6,'(A)') '.. >>>>> [ IO READ: %(name)s ] <<<<< ..'
call ezfio_get_%(ezfio_dir)s_%(ezfio_name)s(%(name)s)
else
print *, '%(ezfio_dir)s/%(ezfio_name)s not found in EZFIO file'
stop 1
endif
endif
IRP_IF MPI_DEBUG
print *, irp_here, mpi_rank
call MPI_BARRIER(MPI_COMM_WORLD, ierr)
IRP_ENDIF
IRP_IF MPI
include 'mpif.h'
integer :: ierr
call MPI_BCAST( %(name)s, %(size_mpi)s, %(type_mpi)s, 0, MPI_COMM_WORLD, ierr)
if (ierr /= MPI_SUCCESS) then
stop 'Unable to read %(name)s with MPI'
endif
IRP_ENDIF
%(write)s
END_PROVIDER
""".strip()
write_correspondance = {"integer": "write_int",
"logical": "write_bool",
"double precision": "write_double"}
mpi_correspondance = {"integer": "MPI_INTEGER",
"integer*8": "MPI_INTEGER8",
"character*(32)": "MPI_CHARACTER",
"logical": "MPI_LOGICAL",
"double precision": "MPI_DOUBLE_PRECISION"}
def __init__(self):
self.values = "type doc name ezfio_dir ezfio_name write output".split()
for v in self.values:
exec "self.{0} = None".format(v)
def __repr__(self):
self.set_write()
self.set_test_null_size()
for v in self.values:
if not v:
msg = "Error : %s is not set in EZFIO.cfg" % (v)
print >>sys.stderr, msg
sys.exit(1)
if "size" not in self.__dict__:
self.__dict__["size"] = ""
return self.data % self.__dict__
def set_test_null_size(self):
if "size" not in self.__dict__:
self.__dict__["size"] = ""
if self.size != "":
self.test_null_size = "if (size(%s) == 0) return\n" % ( self.name )
else:
self.test_null_size = ""
def set_write(self):
output = self.output
name = self.name
l_write = ["",
" call write_time(%(output)s)",
""]
self.write = "\n".join(l_write) % locals()
self.type_mpi = self.mpi_correspondance[self.type]
if "size" in self.__dict__:
return
else:
if self.type in self.write_correspondance:
write = self.write_correspondance[self.type]
l_write = ["",
" call write_time(%(output)s)",
" call %(write)s(%(output)s, %(name)s, &",
" '%(name)s')",
""]
def set_type(self, t):
self.type = t.lower()
def set_doc(self, t):
self.doc = t.strip().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_size(self, t):
self.size_mpi = t.replace(',',')*(').replace('0:','1+')
if (self.type == "character*(32)"):
self.size_mpi += "*32"
if t != "1":
self.size = ", " + t
else:
self.size = ""
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()