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Bump version to 0.8.3
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JBGreisman committed Jul 9, 2020
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2 changes: 1 addition & 1 deletion VERSION
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0.8.2
0.8.3
46 changes: 43 additions & 3 deletions setup.py
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Expand Up @@ -7,14 +7,44 @@ def getVersionNumber():
return version
__version__ = getVersionNumber()

DESCRIPTION = "Tools for exploring reciprocal space"
LONG_DESCRIPTION = """
``reciprocalspaceship`` provides a ``pandas``-style interface for
analyzing and manipulating reflection data from crystallography
experiments. Using this library, it is possible to interactively work
with crystallographic data in Python, enabling easy integration with
modern scientific computing libraries. ``reciprocalspaceship`` is
intended to support the rapid prototyping of new crystallographic methods
and custom analyses while maintaining clear, reproducible, and performant
code.
Features of this library include:
- Crystallographically-aware ``pandas`` objects, datatypes, and syntax
that are familiar to Python users.
- Convenient integration with `GEMMI <https://gemmi.readthedocs.io/en/latest/>`__
to provide built-in methods and support for developing functions that
use space groups, unit cell parameters, and crystallographic symmetry
operations.
- Support for reading and writing MTZ reflection files.
"""
PROJECT_URLS = {
"Bug Tracker": "https://github.com/Hekstra-Lab/reciprocalspaceship/issues",
"Documentation": "https://hekstra-lab.github.io/reciprocalspaceship/",
"Source Code": "https://github.com/Hekstra-Lab/reciprocalspaceship",
}

setup(
name='reciprocalspaceship',
packages=find_packages(),
version=__version__,
license='MIT',
description=DESCRIPTION,
long_description=LONG_DESCRIPTION,
author='Kevin M. Dalton; Jack B. Greisman',
author_email='kmdalton@g.harvard.edu; greisman@g.harvard.edu',
packages=find_packages(),
description='Tools for exploring reciprocal space',
url="https://hekstra-lab.github.io/reciprocalspaceship/",
project_urls=PROJECT_URLS,
install_requires=[
"gemmi >= 0.4.0.post1",
"pandas > 1.0",
Expand All @@ -27,5 +57,15 @@ def getVersionNumber():
'console_scripts': [
'rs.mtzdump=reciprocalspaceship.commandline.mtzdump:main',
]
}
},
classifiers=[
'Development Status :: 3 - Alpha',
'Intended Audience :: Developers',
'Intended Audience :: Science/Research',
'License :: OSI Approved :: MIT License',
'Topic :: Scientific/Engineering :: Chemistry',
'Topic :: Scientific/Engineering :: Physics',
'Topic :: Software Development :: Libraries :: Python Modules',
'Programming Language :: Python',
],
)

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