"""
QMMD Package
==================
Documentation is available in two forms: docstrings provided with the code,
and a loose standing reference guide, available from
`the QMMD homepage <https://qmmd.readthedocs.io/en/latest/>`_.
"""
from importlib.metadata import version, PackageNotFoundError
try:
__version__ = version('qmmd')
except PackageNotFoundError:
__version__ = "unknown"
__all__ = ['mdsim', 'qmcalc', 'datasets', 'test']
from qmmd import mdsim
from qmmd import qmcalc
from qmmd import datasets
[docs]
def test():
"""Run tests for the qmmd package."""
import pytest
import os
package_path = os.path.dirname(__file__)
test_path = os.path.join(os.path.dirname(package_path), 'tests')
if not os.path.exists(test_path):
# If installed as a package, tests might be inside the package or elsewhere
# For now, assume it's run from the source tree or tests are installed
print(f"Could not find tests directory at {test_path}")
return
pytest.main([test_path])