#!/usr/bin/env python

import os
import sys

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

test = TestRun(__file__, sys.argv)

f = Filter()
f.add(from_string = 'Final geometry (bohr)',
      num_lines   = 5,
      rel_tolerance   = 1.0e-8)
f.add(string      = 'Energy at final geometry is',
      rel_tolerance   = 1.0e-9)

test.run(['lda_numgra.inp', 'lda_numgra_x2c.inp'], ['h2.mol'], f)
test.run(['geop_numgra.inp'], ['h2.xyz'], f)
test.run(['lda.inp'], ['h2o.mol'], f)

sys.exit(test.return_code)
