#!/usr/bin/env python

import os
import sys
import shutil

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 = 'Q corrections for state',
      num_lines   = 12,
      rel_tolerance   = 1.0e-5)

test.run(['scf-casscf.inp'], ['h2o.xyz'], args='--outkrmc --get="refvec.luci"')

test.run(['krci-q.inp'], ['h2o.xyz'], f, args='--copy="refvec.luci" --inkrmc')

# cleanup
os.unlink('KRMCSCF')
os.unlink('refvec.luci')

sys.exit(test.return_code)
