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        "author": "Pavol Juhas",
        "author_email": "pavol.juhas@gmail.com",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 5 - Production/Stable",
            "Environment :: MacOS X",
            "Environment :: Win32 (MS Windows)",
            "Environment :: X11 Applications",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: BSD License",
            "Operating System :: MacOS",
            "Operating System :: Microsoft :: Windows",
            "Operating System :: POSIX",
            "Programming Language :: Python :: 2.7",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Scientific/Engineering :: Physics"
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        "description": ".. image:: https://travis-ci.org/diffpy/diffpy.pdfgui.svg?branch=master\n   :target: https://travis-ci.org/diffpy/diffpy.pdfgui\n\n.. image:: http://codecov.io/github/diffpy/diffpy.pdfgui/coverage.svg?branch=master\n   :target: http://codecov.io/github/diffpy/diffpy.pdfgui?branch=master\n\n\nPDFgui\n========================================================================\n\nGraphical user interface program for structure refinements to atomic\npair distribution function.\n\nPDFgui is a friendly interface to PDFfit2 refinement engine, with many\npowerful extensions.  To get started, please open the manual from the\nhelp menu and follow the tutorial instructions.  A detailed description\nis available in the doc/Farrow-jpcm-2007.pdf paper.\n\n\nREQUIREMENTS\n------------------------------------------------------------------------\n\nPDFgui requires Python 2.7 and several third-party libraries\nthat are used by PDFgui and its components.\n\n* setuptools   - tools for installing Python packages\n* wxpython     - graphical user interface toolkit for Python\n* NumPy        - library for scientific computing with Python\n* matplotlib   - Python 2D plotting library\n* diffpy.pdffit2 - computational engine for PDFgui,\n  https://github.com/diffpy/diffpy.pdffit2\n* diffpy.Structure - simple storage and manipulation of atomic\n  structures, https://github.com/diffpy/diffpy.Structure\n* diffpy.utils - shared helper utilities for wx GUI,\n  https://github.com/diffpy/diffpy.utils\n\nWe recommend to use `Anaconda Python <https://www.continuum.io/downloads>`_\nwhich allows to conveniently install PDFgui and all its software\ndependencies with a single command.  For other Python distributions\nit is necessary to install the required software separately.  As an\nexample, on Ubuntu Linux some of the required software can be\ninstalled using ::\n\n   sudo apt-get install \\\n      python-setuptools python-wxtools python-numpy \\\n      python-matplotlib\n\nTo install the remaining packages see the installation instructions\nat their respective web pages.\n\n\nINSTALLATION\n------------------------------------------------------------------------\n\nThe preferred method is to use Anaconda Python and install from the\n\"diffpy\" channel of Anaconda packages ::\n\n   conda config --add channels diffpy\n   conda install diffpy.pdfgui\n\nPDFgui can be then started from a terminal (\"Anaconda Prompt\" on\nWindows) by executing the \"pdfgui\" program.  An alternative\nmethod on Windows is to start PDFgui through the DiffPy start menu.\n\nIf you don't use Anaconda or prefer to install from sources, make\nsure the required software is all in place and run ::\n\n   python setup.py install\n\nBy default the files are installed to standard system directories,\nwhich may require the use of ``sudo`` for write privileges.  If\nadministrator (root) access is not available, see the output from\n``python setup.py install --help`` for options to install as a regular\nuser to user-writable locations.  Note that installation to non-standard\ndirectories may require adjustments to the PATH and PYTHONPATH\nenvironment variables.  The installation integrity can be verified by\nchanging to the HOME directory and running ::\n\n   python -m diffpy.pdfgui.tests.rundeps\n\nWith Anaconda PDFgui can be later upgraded to the latest released\nversion using ::\n\n   conda update diffpy.pdfgui\n\nWith other Python distributions the program can be upgraded to\nthe latest version as follows ::\n\n   easy_install --upgrade diffpy.pdfgui\n\n\nOther software\n````````````````````````````````````````````````````````````````````````\n\nPDFgui can use an external structure viewer for displaying analyzed\nstructures.  We have tested with several structure viewers such as\n\n* AtomEye, http://li.mit.edu/A/Graphics/A/\n* PyMol, http://www.pymol.org\n\nOther viewers should work as well, as long as they understand one of\nthe output structure formats supported by PDFgui.\n\n\nDEVELOPMENT\n------------------------------------------------------------------------\n\nPDFgui is an open-source software available in a git repository at\nhttps://github.com/diffpy/diffpy.pdfgui.\n\nFeel free to fork the project and contribute.  To install PDFgui\nin a development mode where the source files are used directly\nrather than copied to a system directory, use ::\n\n   python setup.py develop --user\n\n\nCONTACTS\n------------------------------------------------------------------------\n\nFor more information on PDFgui please visit the project web-page:\n\nhttp://www.diffpy.org/products/pdfgui.html\n\nor email Prof. Simon Billinge at sb2896@columbia.edu\n",
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