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Setup repository for pypi package management (#4)
* Creating pip package setup * Updated documentation * Reconfigure package * Set python based on sys
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include *.py | ||
recursive-include src/qmllib *.f90 | ||
global-exclude *~ *.py[cod] *.so |
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@@ -1,14 +1,26 @@ | ||
import sys | ||
from pathlib import Path | ||
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from setuptools import setup | ||
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try: | ||
import _compile | ||
except ImportError: | ||
import sys | ||
from pathlib import Path | ||
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sys.path.append(str(Path(__file__).resolve().parent)) | ||
import _compile | ||
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if __name__ == "__main__": | ||
_compile.main() | ||
setup() | ||
setup( | ||
description="Python/Fortran toolkit for representation of molecules and solids for machine learning of properties of molecules and solids.", | ||
classifiers=[ | ||
"Intended Audience :: Developers", | ||
"Intended Audience :: Science/Research", | ||
"License :: OSI Approved :: MIT License", | ||
"Programming Language :: Python :: 3", | ||
"Programming Language :: Python", | ||
"Topic :: Scientific/Engineering :: Artificial Intelligence", | ||
"Topic :: Scientific/Engineering :: Chemistry", | ||
], | ||
keywords=["qml", "quantum chemistry", "machine learning"], | ||
) |
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__version__ = "1.0.0" | ||
__version__ = "1.0.1" |