import pytest
from pathlib import Path
[docs]
@pytest.mark.ci
def test_phonopy(asr_tmpdir_w_params, mockgpaw, get_webcontent):
"""Simple test of phononpy recipe."""
from asr.phonopy import calculate, main
from asr.core import read_json
from ase.build import bulk
N = 2
atoms = bulk('Al', 'fcc', a=4.05)
atoms.write("structure.json")
calculate(sc=[N, N, N], calculator={'name': 'emt'})
main()
result = Path('results-asr.phonopy.json')
assert result.is_file()
data = read_json('results-asr.phonopy.json')
assert data['minhessianeig'] == pytest.approx(0)
assert data['dynamic_stability_level'] == 3