mdsuite/__init__.py
"""
MDSuite: A Zincwarecode package.
License
-------
This program and the accompanying materials are made available under the terms
of the Eclipse Public License v2.0 which accompanies this distribution, and is
available at https://www.eclipse.org/legal/epl-v20.html
SPDX-License-Identifier: EPL-2.0
Copyright Contributors to the Zincwarecode Project.
Contact Information
-------------------
email: zincwarecode@gmail.com
github: https://github.com/zincware
web: https://zincwarecode.com/
Citation
--------
If you use this module please cite us with:
Summary
-------
"""
try:
from importlib import metadata
except ImportError: # for Python<3.8
import importlib_metadata as metadata
import logging
import sys
from mdsuite import utils
from mdsuite.experiment import Experiment
from mdsuite.project import Project
from mdsuite.utils import config, units
from mdsuite.utils.molecule import Molecule
from mdsuite.utils.report_computer_characteristics import Report
__all__ = [
Project.__name__,
Experiment.__name__,
Report.__name__,
"config",
Molecule.__name__,
"units",
"utils",
]
__version__ = metadata.version("mdsuite")
logger = logging.getLogger(__name__)
logger.setLevel(logging.DEBUG)
# Formatter for advanced logging
formatter = logging.Formatter("%(asctime)s - %(levelname)s: %(message)s")
channel = logging.StreamHandler(sys.stdout)
channel.setLevel(logging.INFO)
channel.setFormatter(formatter)
logger.addHandler(channel)