From f7e09dba39b948b3c11f16cb19154e02f2dbf0b6 Mon Sep 17 00:00:00 2001 From: Jack Greisman Date: Thu, 9 Jul 2020 16:18:49 -0400 Subject: [PATCH] Bump version to 0.8.3 --- VERSION | 2 +- setup.py | 46 +++++++++++++++++++++++++++++++++++++++++++--- 2 files changed, 44 insertions(+), 4 deletions(-) diff --git a/VERSION b/VERSION index 100435be..ee94dd83 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -0.8.2 +0.8.3 diff --git a/setup.py b/setup.py index 325a955c..aa83089e 100644 --- a/setup.py +++ b/setup.py @@ -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 `__ + 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", @@ -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', + ], )