From 0f71a77aab264e9bcb997d4f7c506b9ea03f7420 Mon Sep 17 00:00:00 2001 From: ardunn Date: Thu, 20 Dec 2018 17:55:59 -0800 Subject: [PATCH 1/2] add setup.py and gitignore --- .gitignore | 4 ++++ setup.py | 34 ++++++++++++++++++++++++++++++++++ 2 files changed, 38 insertions(+) create mode 100644 setup.py diff --git a/.gitignore b/.gitignore index 703a40179..e4b7f1511 100644 --- a/.gitignore +++ b/.gitignore @@ -93,3 +93,7 @@ Local # .DS_Store .DS_Store + +# Pycharm +.idea/* +.idea \ No newline at end of file diff --git a/setup.py b/setup.py new file mode 100644 index 000000000..96360714c --- /dev/null +++ b/setup.py @@ -0,0 +1,34 @@ +#!/usr/bin/env python + +import os + +from setuptools import setup, find_packages + +module_dir = os.path.dirname(os.path.abspath(__file__)) + +if __name__ == "__main__": + setup( + name='cgcnn', + version='0.1.0', + description='Crystal Graph Convolutional Neural Networks', + long_description=open(os.path.join(module_dir, 'README.md')).read(), + url='https://github.com/txie-93/cgcnn', + author='Tian Xie', + author_email='txie@mit.edu', + license='modified BSD', + packages=find_packages(), + include_package_data=True, + package_data={'cgcnn.pre-trained': ['*'], + 'cgcnn.data.sample-classification': ["*"], + 'cgcnn.data.sample-regression': ["*"]}, + zip_safe=False, + install_requires=['tensorflow', 'torch==0.4.1', 'torchvision'], + classifiers=['Programming Language :: Python :: 3.6', + 'Development Status :: 4 - Beta', + 'Intended Audience :: Science/Research', + 'Intended Audience :: System Administrators', + 'Intended Audience :: Information Technology', + 'Operating System :: OS Independent', + 'Topic :: Other/Nonlisted Topic', + 'Topic :: Scientific/Engineering'], + ) From e99900fcc2e57517bc5a4900da69090d52e110c8 Mon Sep 17 00:00:00 2001 From: ardunn Date: Thu, 20 Dec 2018 18:01:56 -0800 Subject: [PATCH 2/2] add manifest --- MANIFEST.in | 4 ++++ 1 file changed, 4 insertions(+) create mode 100644 MANIFEST.in diff --git a/MANIFEST.in b/MANIFEST.in new file mode 100644 index 000000000..d07c34248 --- /dev/null +++ b/MANIFEST.in @@ -0,0 +1,4 @@ +include LICENSE *.txt +recursive-include cgcnn * +recursive-include data * +recursive-include pre-trained * \ No newline at end of file