diff --git a/tests/calculators/test_aims.py b/tests/calculators/test_aims.py index a0c0262d..6ff3f0ab 100644 --- a/tests/calculators/test_aims.py +++ b/tests/calculators/test_aims.py @@ -21,8 +21,11 @@ from ase.config import cfg as ase_cfg from ase.calculators.aims import AimsProfile - profile = AimsProfile.from_config(ase_cfg, "aims") - species_dir = vars(profile).get("default_species_directory", None) + if "aims" in ase_cfg.parser: + profile = AimsProfile.from_config(ase_cfg, "aims") + species_dir = vars(profile).get("default_species_directory", None) + else: + species_dir = None aims_prerequisites = pytest.mark.skipif( condition = 'aims' not in ase_cfg.parser or species_dir is None diff --git a/tests/calculators/test_calc_generic.py b/tests/calculators/test_calc_generic.py index c753fe95..31fe6de4 100644 --- a/tests/calculators/test_calc_generic.py +++ b/tests/calculators/test_calc_generic.py @@ -1,6 +1,7 @@ import sys from os.path import join from io import StringIO +import pytest import numpy as np from ase import Atoms