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        "author": "Simon J.L. Billinge",
        "author_email": "sb2896@columbia.edu",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 5 - Production/Stable",
            "Environment :: Console",
            "Intended Audience :: Developers",
            "Intended Audience :: Education",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: BSD License",
            "Operating System :: MacOS :: MacOS X",
            "Operating System :: POSIX",
            "Operating System :: Unix",
            "Programming Language :: C++",
            "Programming Language :: Python :: 2.7",
            "Programming Language :: Python :: 3.5",
            "Programming Language :: Python :: 3.6",
            "Programming Language :: Python :: 3.7",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Scientific/Engineering :: Physics",
            "Topic :: Software Development :: Libraries"
        ],
        "description": ".. image:: https://travis-ci.org/diffpy/pyobjcryst.svg?branch=master\n   :target: https://travis-ci.org/diffpy/pyobjcryst\n\n.. image:: https://codecov.io/gh/diffpy/pyobjcryst/branch/master/graph/badge.svg\n  :target: https://codecov.io/gh/diffpy/pyobjcryst\n\npyobjcryst\n==========\n\nPython bindings to ObjCryst++, the Object-Oriented Crystallographic Library.\n\nThe documentation for this release of pyobjcryst can be found on-line at\nhttp://diffpy.github.io/pyobjcryst.\n\n\nREQUIREMENTS\n------------\n\npyobjcryst requires Python 3.7, 3.6, 3.5 or 2.7, C++ compiler and\nthe following software:\n\n* ``libobjcryst`` - Object-Oriented Crystallographic Library for C++,\n  https://github.com/diffpy/libobjcryst\n* ``setuptools``  - tools for installing Python packages\n* ``NumPy`` - library for scientific computing with Python\n* ``python-dev`` - header files for interfacing Python with C\n* ``libboost-all-dev`` - Boost C++ libraries and development files\n* ``scons`` - software construction tool (optional)\n\nWe recommend to use `Anaconda Python <https://www.anaconda.com/download>`_\nas it allows to install all software dependencies together with\npyobjcryst.  For other Python distributions it is necessary to\ninstall the required software separately.  As an example, on Ubuntu\nLinux the required software can be installed using ::\n\n   sudo apt-get install \\\n      python-setuptools python-numpy scons \\\n      build-essential python-dev libboost-all-dev\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 pyobjcryst\n\npyobjcryst is also included in the \"diffpy-cmi\" collection\nof packages for structure analysis ::\n\n   conda install diffpy-cmi\n\nIf you prefer to use other Python distribution or install from sources,\nyou must first install the libobjcryst library as per the instructions at\nhttps://github.com/diffpy/libobjcryst.  Make sure other required\nsoftware is also in place and then run::\n\n   python setup.py install\n\nYou may need to use ``sudo`` with system Python so the process is\nallowed to copy files to system directories.  If administrator (root)\naccess is not available, see the usage information from\n``python setup.py install --help`` for options to install to\na user-writable location.  The installation integrity can be\nverified by executing the included tests with ::\n\n   python -m pyobjcryst.tests.run\n\nAn alternative way of installing pyobjcryst is to use the SCons tool,\nwhich can speed up the process by compiling C++ files in several\nparallel jobs (-j4)::\n\n   scons -j4 install\n\nSee ``scons -h`` for description of build targets and options.\n\n\nDEVELOPMENT\n-----------\n\npyobjcryst is an open-source software developed as a part of the\nDiffPy-CMI complex modeling initiative at the Brookhaven National\nLaboratory.  The pyobjcryst sources are hosted at\nhttps://github.com/diffpy/pyobjcryst.\n\nFeel free to fork the project and contribute.  To install pyobjcryst\nin a development mode, where its sources are directly used by Python\nrather than copied to a system directory, use ::\n\n   python setup.py develop --user\n\nWhen developing it is preferable to compile the C++ files with\nSCons using the ``build=develop`` option, which compiles the extension\nmodule with debug information and C-assertions checks ::\n\n   scons -j4 build=debug develop\n\nThe build script checks for a presence of ``sconsvars.py`` file, which\ncan be used to permanently set the ``build`` variable.  The SCons\nconstruction environment can be further customized in a ``sconscript.local``\nscript.  The package integrity can be verified by executing unit tests with\n``scons -j4 test``.\n\nWhen developing with Anaconda Python it is essential to specify\nheader path, library path and runtime library path for the active\nAnaconda environment.  This can be achieved by setting the ``CPATH``,\n``LIBRARY_PATH`` and ``LDFLAGS`` environment variables as follows::\n\n   # resolve the prefix directory P of the active Anaconda environment\n   P=\"$(conda info --json | grep default_prefix | cut -d\\\" -f4)\"\n   export CPATH=$P/include\n   export LIBRARY_PATH=$P/lib\n   export LDFLAGS=-Wl,-rpath,$P/lib\n   # compile and re-install pyobjcryst\n   scons -j4 build=debug develop\n\nNote the Anaconda package for the required libobjcryst library is built\nwith a C++ compiler provided by Anaconda.  This may cause incompatibility\nwith system C++.  In such case please use Anaconda C++ to build pyobjcryst.\n\n\nCONTACTS\n--------\n\nFor more information on pyobjcryst please visit the project web-page\n\nhttp://www.diffpy.org\n\nor email Prof. Simon Billinge at sb2896@columbia.edu.",
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        "license": "BSD-style license",
        "maintainer": "Pavol Juhas",
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