Overview

This is the test suite for quacc, which is executed via the pytest utility.

Running the Tests

Note that you aren't meant to run pytest from the root of the tests directory. Instead, you need to run pytest from within one of the subdirectories found in tests. This is because each subdirectory contains a conftest.py file that is used to set up a given test environment at runtime, and they will otherwise clash with each other.

For instance, to run the core test suite:

pytest tests/core # or `pytest .` from within `tests/core`

Similarly, to run the test suite for Parsl-specific functionality:

pytest tests/parsl # or `pytest .` from within `tests/parsl`

Troubleshooting Tests

If you ever need to inspect files from a failed test run, you can find them in the _quacc_scratch and _quacc_results directories that are created in the current working directory.

Requirements

The requirements.txt files in this directory are those used on GitHub Actions and corresponding to the optional dependency groups listed in pyproject.toml.