diff --git a/setup.py b/setup.py new file mode 100644 index 0000000000000000000000000000000000000000..98d982038c91edc43adff6e25e27382cfe362c01 --- /dev/null +++ b/setup.py @@ -0,0 +1,15 @@ +from setuptools import setup, find_packages + +setup( + name="grext", + version="0.1.0", + packages=find_packages(), + install_requires=["numpy"], + author="Michele Nottoli", + description="Tools for generating new guesses for SCF calculations.", + classifiers=[ + "Programming Language :: Python :: 3", + "License :: OSI Approved :: MIT License", + "Operating System :: OS Independent", + ], +) diff --git a/tests/test_grassmann.py b/tests/test_grassmann.py new file mode 100644 index 0000000000000000000000000000000000000000..1fbef07b07a5b201891d3423f9bcd39167a482d9 --- /dev/null +++ b/tests/test_grassmann.py @@ -0,0 +1,9 @@ +import os +import sys +import numpy as np + +sys.path.insert(0, os.path.abspath(os.path.join(os.path.dirname(__file__), '..'))) +import grext + +def test_grassmann(): + grext.Extrapolator(10, 10, 10, 10)