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doc: update README.rst with updated installation instructions, badges, and citations
Signed-off-by: Dasun Abeykoon <Dasun20202020@hotmail.com>
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README.rst

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DistancePrinter
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========================================================================
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|Icon| |title|_
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===============
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Software for calculating inter-atomic distance for given structure
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.. |title| replace:: diffpy.distanceprinter
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.. _title: https://diffpy.github.io/diffpy.distanceprinter
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.. |Icon| image:: https://avatars.githubusercontent.com/diffpy
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:target: https://diffpy.github.io/diffpy.distanceprinter
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:height: 100px
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REQUIREMENTS
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------------------------------------------------------------------------
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|PythonVersion| |PR|
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The DistancePrinter requires Python 2.7 and the following software:
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|Black| |Tracking|
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* ``diffpy.pdffit``
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.. |Black| image:: https://img.shields.io/badge/code_style-black-black
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:target: https://github.com/psf/black
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INSTALLATION
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------------------------------------------------------------------------
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.. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
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:target: https://github.com/diffpy/diffpy.distanceprinter/pulls
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To install the DistancePrinter package:
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.. |PythonVersion| image:: https://img.shields.io/badge/python-3.11%20|%203.12%20|%203.13-blue
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:target: https://pypi.org/project/diffpy.distanceprinter/
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python setup.py install
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.. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
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:target: https://github.com/diffpy/diffpy.distanceprinter/issues
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By default the files are installed in the system directories, which are
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usually only writeable by the root. See the usage info "./setup.py install
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--help" for options to install as a normal user under a different location.
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Note that installation to non-standard directories you may require adjustments
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to the PATH and PYTHONPATH environment variables.
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Distance Printer, calculate the inter atomic distances. Part of xPDFsuite
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CONTACTS
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------------------------------------------------------------------------
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Citation
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--------
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For more information on diffpy.Structure please visit the project web-page
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If you use diffpy.distanceprinter in a scientific publication, we would like you to cite this package as
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http://www.diffpy.org/
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Xiaohao Yang, Pavol Juhas, Christopher L. Farrow and Simon J. L. Billinge, xPDFsuite: an end-to-end
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software solution for high throughput pair distribution function transformation, visualization and
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analysis, arXiv 1402.3163 (2014)
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or email Prof. Simon Billinge at sb2896@columbia.edu.
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Installation
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------------
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``diffpy.distanceprinter`` is normally installed as part of the ``xpdfsuite`` software, so please refer to the
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installation instructions detailed in the ``README.rst`` file of ``xpdfsuite`` `here <https://github.com/diffpy/diffpy.xpdfsuite/blob/main/README.rst>`_.
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Independent Installation
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------------------------
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You can also install ``diffpy.distanceprinter`` independently for yourself.
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Assuming you have a wheel file in the current working directory, in an active conda environment please type
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pip install ./diffpy.distanceprinter-VERSION.whl
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where you replace VERSION with the actual version you have so the command matches the filename of the
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wheel file you have.
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The commands to create and activate the conda environment with name "conf-env" is
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conda create -n conf-env python=3.13
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conda activate conf-env
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If you don't have conda installed, we recomment you install `miniconda
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<https://docs.conda.io/projects/miniconda/en/latest/miniconda-install.html>`_
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To install this software from a Python wheel distribution format execute
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pip install ./diffpy.distanceprinter-VERSION.whl
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If you are a developer, you can also install this package from sources. First, obtain the source archive
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from `GitHub <https://github.com/diffpy/diffpy.distanceprinter/>`_.
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Install the packages in ``./requirements/conda.txt`` and ``./requirements/tests.txt``
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using the `--file`` command:
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conda activate conf-env
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conda install --file ./requirements/conda.txt
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conda install --file ./requirements/tests.txt
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pip install -e . # assuming you are in the top level directory of the package
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After installing the dependencies, ``cd`` into your ``diffpy.distanceprinter`` directory
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and run the following ::
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pip install .
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This package also provides command-line utilities. To check the software has been installed correctly, type ::
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diffpy.distanceprinter --version
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You can also type the following command to verify the installation. ::
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python -c "import diffpy.distanceprinter; print(diffpy.distanceprinter.__version__)"
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To view the basic usage and available commands, type ::
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diffpy.distanceprinter -h
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Contact
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-------
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For more information on diffpy.distanceprinter please visit the project `web-page <https://www.diffpy.org>`_ or email Simon J.L. Billinge Group at sb2896@columbia.edu.
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Acknowledgements
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----------------
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``diffpy.distanceprinter`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.

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