#!/usr/bin/env python

import os
import sys
sys.path.append(os.path.join(os.path.dirname(__file__), '..'))

from runtest import version_info, get_filter, cli, run
from runtest_config import configure


# see https://runtest.readthedocs.io/en/latest/creating/filter_options.html#extracting-single-lines
f = [
    get_filter(string = 'Electronic energy',
      rel_tolerance = 1.0e-7),
    get_filter(string = ' Nonrel. sym.:',
      rel_tolerance = 1.0e-4),
]

options = cli()

ierr = 0

for inp in ['pbe0_alda+.inp', 'pbe0_alda-.inp', 'pbe0_alda.inp', 'pbe0_xalda+.inp', 'pbe0_xalda-.inp', 'pbe0_xalda.inp']:
    for mol in ['zn.mol']:
        ierr += run(options,
                    configure,
                    input_files=[inp, mol],
                    filters={'out': f})

sys.exit(ierr)
