perturbopy.conftest

How this works.

In the tests fodler, the test_perturbo.py script runs Perturbo for a given ‘test_name’. The idea is to use the same function (test_perturbo()) to run all of the calc. modes, epr files, etc. All of this should be happening under the pytest environment (ran by pytest).

In this file (conftest.py), we parametrize pytest to make this work.

Functions

config_machine

keep_perturbo

pytest_addoption

pytest_generate_tests

The purpose of this function is to feed multiple test names to the tests/test_perturbo.py test_perturbo(test_name) function.

pytest_terminal_summary

run_qe2pert

source_folder

test_name