#!/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)

f = Filter()
f.add(from_string = 'Final CCSD energy',
      num_lines   = 7,
      rel_tolerance   = 1.0e-6)
f.add(from_string = 'Electronic energy',
      num_lines   = 8,
      rel_tolerance   = 1.0e-8)
f.add(from_string = 'Eigenvalues',
      num_lines   = 32,
      rel_tolerance   = 1.0e-5)
f.add(from_string = ' Overview of calculated energies',
      num_lines   = 12,
      rel_tolerance   = 1.0e-6)

test.run(['cc.inp'], ['h2.xyz'], f)
test.run(['be_cc.inp'], ['Be.xyz'], f)

sys.exit(test.return_code)
