#!python
import argparse
import os
import time

import numpy

from chemcomp.helpers import run_setup, CONFIG_PATH

numpy.seterr(all='raise')


if __name__ == "__main__":
    parser = argparse.ArgumentParser()
    parser.add_argument(
        "--config_file",
        "-c",
        help="specify your config file (relative path to main)",
        default=os.path.join(CONFIG_PATH, "config.yaml"),
    )
    args = parser.parse_args()

    t = time.time()

    run_setup(args.config_file)
    print("execution took: {:.3f}s".format(time.time() - t))
