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setup.py
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setup.py
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# -*- coding: utf-8 -*-
from setuptools import setup, find_packages
with open('README.rst') as file:
readme = file.read()
setup(
name = 'ChemW',
package_dir = {'mw':'chemw'},
packages = find_packages(),
package_data = {
'test':['databases/*', 'protein_sequence.fasta'],
'chemw':['amino_acids_masses.json'],
},
version = '0.3.5',
license = 'MIT',
description = "Calculates the Molecular Weight, to the appropriate significant digits, from a string of an arbitrary chemical formula, a protein sequence of one- or three-letter codes, or chemical common names that are recognized by PubChem.",
long_description = readme,
author = 'Andrew Freiburger',
author_email = 'andrewfreiburger@gmail.com',
url = 'https://github.com/freiburgermsu/chemw',
keywords = ['chemistry', 'math', 'mass', 'weight', 'PHREEQC', 'molecular', 'mineral', 'formula', 'calculate', 'significant', 'digits', 'figures', 'sigfigs', 'proteins', 'enzymes'],
install_requires = ['chemicals', 'pandas', 'pubchempy', 'requests', 'sigfig'],
project_urls={
'Documentation': 'https://chemw.readthedocs.io/en/stable/',
'Issues': 'https://github.com/freiburgermsu/chemw/issues',
}
)