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Update installation instructions in README file.
Recommend installation with conda. Mention diffpy-cmi. Remove Mac Ports instructions. Require Python 2.7.
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README.rst

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pyobjcryst
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==========
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Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
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Python bindings to ObjCryst++, the Object-Oriented Crystallographic Library.
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The documentation for this release of pyobjcryst can be found on-line at
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http://diffpy.github.io/pyobjcryst.
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REQUIREMENTS
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------------
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pyobjcryst requires Python 2.6 or 2.7, C++ compiler and the following
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software:
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pyobjcryst requires Python 2.7, C++ compiler and the following software:
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* ``libobjcryst`` - Object-Oriented Crystallographic Library for C++,
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https://github.com/diffpy/libobjcryst
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* ``python-dev`` - header files for interfacing Python with C
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* ``libboost-all-dev`` - Boost C++ libraries and development files
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With the exception of libobjcryst, the required software is commonly
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available in system package manager, for example, on Ubuntu Linux the
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required software can be installed as::
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We recommend to use `Anaconda Python <https://www.continuum.io/downloads>`_
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as it allows to install all software dependencies together with
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pyobjcryst. For other Python distributions it is necessary to
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install the required software separately. As an example, on Ubuntu
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Linux the required software can be installed using ::
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sudo apt-get install \
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python-setuptools python-numpy scons \
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build-essential python-dev libboost-all-dev
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For Mac OS X machine with the MacPorts package manager the installation is::
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sudo port install \
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python27 py27-setuptools py27-numpy scons boost
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When installing with MacPorts, make sure that MacPorts bin directory is the
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first in the system PATH and python27 is selected as the default Python
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version in MacPorts::
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INSTALLATION
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------------
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sudo port select --set python python27
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The preferred method is to use Anaconda Python and install from the
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"diffpy" channel of Anaconda packages ::
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conda config --add channels diffpy
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conda install pyobjcryst
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INSTALLATION
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------------
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pyobjcryst is also included in the "diffpy-cmi" collection
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of packages for structure analysis ::
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The easiest option is to use the latest DiffPy-CMI release bundle from
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http://www.diffpy.org, which comes with pyobjcryst and all other
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dependencies included.
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conda install diffpy-cmi
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If you prefer to install from sources, you must first install the libobjcryst
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library as per the instructions at
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If you prefer to use other Python distribution or install from sources,
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you must first install the libobjcryst library as per the instructions at
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https://github.com/diffpy/libobjcryst. Make sure other required
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software is in place as well and then run::
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software is also in place and then run::
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sudo python setup.py install
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python setup.py install
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This installs pyobjcryst for all users to the default system location.
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If administrator (root) access is not available, see the usage info from
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``python setup.py install --help`` for options for installing to a user-writable
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location. The installation integrity can be verified by changing to
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the HOME directory and running::
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You may need to use ``sudo`` with system Python so the process is
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allowed to copy files to system directories. If administrator (root)
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access is not available, see the usage information from
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``python setup.py install --help`` for options to install to
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a user-writable location. The installation integrity can be verified by
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changing to the HOME directory and running ::
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python -m pyobjcryst.tests.run
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An alternative way of installing pyobjcryst is to use the SCons tool,
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which can speed up the process by compiling C++ files in parallel (-j4)::
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which can speed up the installation by compiling C++ files in several
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parallel jobs (-j4)::
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sudo scons -j4 install
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scons -j4 install
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See ``scons -h`` for description of build targets and options for
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choosing the installation directory.
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See ``scons -h`` for description of build targets and options.
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DEVELOPMENT
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Feel free to fork the project and contribute. To install pyobjcryst
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in a development mode, where its sources are directly used by Python
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rather than copied to a system directory, use::
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rather than copied to a system directory, use ::
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python setup.py develop --user
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When developing it is preferable to compile the C++ files with
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SCons using the ``build=develop`` option, which compiles the extension
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module with debug information and C-assertions checks::
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module with debug information and C-assertions checks ::
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scons -j4 build=debug develop
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setup.py

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'Operating System :: POSIX',
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'Operating System :: Unix',
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'Programming Language :: C++',
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'Programming Language :: Python :: 2.6',
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'Programming Language :: Python :: 2.7',
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'Topic :: Scientific/Engineering :: Chemistry',
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'Topic :: Scientific/Engineering :: Physics',

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