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Update versioneer for Python 3.12
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$ pip install versioneer
$ versioneer install
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mattwthompson committed Dec 5, 2023
1 parent 13af90b commit e5ded58
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Showing 4 changed files with 1,086 additions and 528 deletions.
1 change: 1 addition & 0 deletions .gitattributes
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*.ipynb linguist-documentation
*.html linguist-documentation
espaloma/_version.py export-subst
14 changes: 2 additions & 12 deletions espaloma/__init__.py
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from .mm.geometry import *
from .utils.model_fetch import get_model, get_model_path

# Add imports here
# import espaloma


# Handle versioneer
from ._version import get_versions

#
# from openff.toolkit.utils.toolkits import ToolkitRegistry, OpenEyeToolkitWrapper, RDKitToolkitWrapper, AmberToolsToolkitWrapper
# toolkit_registry = ToolkitRegistry()
# toolkit_precedence = [ RDKitToolkitWrapper ] # , OpenEyeToolkitWrapper, AmberToolsToolkitWrapper]
# [ toolkit_registry.register_toolkit(toolkit) for toolkit in toolkit_precedence if toolkit.is_available() ]
#


versions = get_versions()
__version__ = versions["version"]
__git_revision__ = versions["full-revisionid"]
del get_versions, versions
from . import _version
__version__ = _version.get_versions()['version']
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