#!/usr/bin/env python

import os
import sys


sys.path.append(os.path.join(os.path.dirname(__file__), '..'))
from runtest_dirac import Filter, TestRun
from exacorr_environment import set_exacorr_environment

set_exacorr_environment()

test = TestRun(__file__, sys.argv)

f1 = Filter()
f1.add(from_string = '@ Total CCSD energy',
      num_lines   = 3,
      abs_tolerance   = 5.0e-6)

f2 = Filter()
f2.add(from_string = 'Final CCSD energy',
      num_lines   = 5,
      abs_tolerance   = 1.0e-6)
f2.add(from_string = 'Norm of Fock matrix (OO',
      num_lines   = 1,
      abs_tolerance   = 1.0e-4)
f2.add(from_string = 'Norm of Fock matrix (OV',
      num_lines   = 1,
      abs_tolerance   = 1.0e-3)
f2.add(from_string = 'Norm of Fock matrix (VV',
      num_lines   = 1,
      abs_tolerance   = 1.0e-2)

#test.run(['ccsd_li2.inp'], ['Li2_nosym.mol'], f1, " ")
test.run(['ccsd_lio.inp'], ['LiO_nosym.mol'], f1, " ")
test.run(['talsh_cholesky_li2.inp'], ['Li2_nosym.mol'], f2, " ")
#test.run(['talsh_cholesky_lio.inp'], ['LiO_nosym.mol'], f2, " ")

sys.exit(test.return_code)
