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john-halloranJohn Halloran
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refactor: change references of snmf to stretched-nmf (#185)
* chore: use new name in scikit-package space * refactor: rename references throughout program snmf -> stretched-nmf * refactor: rename project references * chore: add news item for package-name-update * chore: CI toml issue --------- Co-authored-by: John Halloran <jhalloran@oxy.edu>
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.github/workflows/build-wheel-release-upload.yml

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build-release:
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uses: scikit-package/release-scripts/.github/workflows/_build-wheel-release-upload.yml@v0
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with:
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project: diffpy.snmf
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project: diffpy.stretched-nmf
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c_extension: false
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maintainer_GITHUB_username: sbillinge
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secrets:

.github/workflows/check-news-item.yml

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check-news-item:
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uses: scikit-package/release-scripts/.github/workflows/_check-news-item.yml@v0
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with:
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project: diffpy.snmf
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project: diffpy.stretched-nmf

.github/workflows/matrix-and-codecov-on-merge-to-main.yml

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matrix-coverage:
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uses: scikit-package/release-scripts/.github/workflows/_matrix-and-codecov-on-merge-to-main.yml@v0
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with:
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project: diffpy.snmf
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project: diffpy.stretched-nmf
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c_extension: false
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headless: false
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.github/workflows/publish-docs-on-release.yml

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docs:
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uses: scikit-package/release-scripts/.github/workflows/_publish-docs-on-release.yml@v0
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with:
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project: diffpy.snmf
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project: diffpy.stretched-nmf
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c_extension: false
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headless: false

.github/workflows/tests-on-pr.yml

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tests-on-pr:
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uses: scikit-package/release-scripts/.github/workflows/_tests-on-pr.yml@v0
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with:
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project: diffpy.snmf
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project: diffpy.stretched-nmf
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c_extension: false
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headless: false
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README.rst

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|Icon| |title|_
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===============
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.. |title| replace:: diffpy.snmf
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.. _title: https://diffpy.github.io/diffpy.snmf
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.. |title| replace:: diffpy.stretched-nmf
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.. _title: https://diffpy.github.io/diffpy.stretched-nmf
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.. |Icon| image:: https://avatars.githubusercontent.com/diffpy
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:target: https://diffpy.github.io/diffpy.snmf
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:target: https://diffpy.github.io/diffpy.stretched-nmf
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:height: 100px
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|PyPI| |Forge| |PythonVersion| |PR|
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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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.. |CI| image:: https://github.com/diffpy/diffpy.snmf/actions/workflows/matrix-and-codecov-on-merge-to-main.yml/badge.svg
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:target: https://github.com/diffpy/diffpy.snmf/actions/workflows/matrix-and-codecov-on-merge-to-main.yml
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.. |CI| image:: https://github.com/diffpy/diffpy.stretched-nmf/actions/workflows/matrix-and-codecov-on-merge-to-main.yml/badge.svg
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:target: https://github.com/diffpy/diffpy.stretched-nmf/actions/workflows/matrix-and-codecov-on-merge-to-main.yml
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.. |Codecov| image:: https://codecov.io/gh/diffpy/diffpy.snmf/branch/main/graph/badge.svg
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:target: https://codecov.io/gh/diffpy/diffpy.snmf
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.. |Codecov| image:: https://codecov.io/gh/diffpy/diffpy.stretched-nmf/branch/main/graph/badge.svg
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:target: https://codecov.io/gh/diffpy/diffpy.stretched-nmf
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.. |Forge| image:: https://img.shields.io/conda/vn/conda-forge/diffpy.snmf
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:target: https://anaconda.org/conda-forge/diffpy.snmf
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.. |Forge| image:: https://img.shields.io/conda/vn/conda-forge/diffpy.stretched-nmf
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:target: https://anaconda.org/conda-forge/diffpy.stretched-nmf
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.. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
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:target: https://github.com/diffpy/diffpy.snmf/pulls
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:target: https://github.com/diffpy/diffpy.stretched-nmf/pulls
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.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.snmf
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:target: https://pypi.org/project/diffpy.snmf/
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.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.stretched-nmf
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:target: https://pypi.org/project/diffpy.stretched-nmf/
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.. |PythonVersion| image:: https://img.shields.io/pypi/pyversions/diffpy.snmf
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:target: https://pypi.org/project/diffpy.snmf/
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.. |PythonVersion| image:: https://img.shields.io/pypi/pyversions/diffpy.stretched-nmf
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:target: https://pypi.org/project/diffpy.stretched-nmf/
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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.snmf/issues
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:target: https://github.com/diffpy/diffpy.stretched-nmf/issues
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A python package implementing the stretched NMF algorithm.
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chemical phases where the measurements were done at different temperatures and the materials were undergoing thermal
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expansion.
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For more information about the diffpy.snmf library, please consult our `online documentation <https://diffpy.github.io/diffpy.snmf>`_.
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For more information about the diffpy.stretched-nmf library, please consult our `online documentation <https://diffpy.github.io/diffpy.stretched-nmf>`_.
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Citation
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--------
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If you use diffpy.snmf in a scientific publication, we would like you to cite this package as
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If you use diffpy.stretched-nmf in a scientific publication, we would like you to cite this package as
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Ran Gu, Yevgeny Rakita, Ling Lan, Zach Thatcher, Gabrielle E. Kamm, Daniel O’Nolan, Brennan Mcbride, Allison Wustrow, James R. Neilson, Karena W. Chapman, Qiang Du, and Simon J. L. Billinge,
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`Stretched Non-negative Matrix Factorization
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conda config --add channels conda-forge
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We want to install our packages in a suitable conda environment.
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The following creates and activates a new environment named ``diffpy.snmf_env`` ::
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The following creates and activates a new environment named ``diffpy.stretched-nmf_env`` ::
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conda create -n diffpy.snmf_env diffpy.snmf
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conda activate diffpy.snmf_env
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conda create -n diffpy.stretched-nmf_env diffpy.stretched-nmf
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conda activate diffpy.stretched-nmf_env
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The output should print the latest version displayed on the badges above.
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If the above does not work, you can use ``pip`` to download and install the latest release from
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`Python Package Index <https://pypi.python.org>`_.
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To install using ``pip`` into your ``diffpy.snmf_env`` environment, type ::
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To install using ``pip`` into your ``diffpy.stretched-nmf_env`` environment, type ::
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pip install diffpy.snmf
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pip install diffpy.stretched-nmf
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If you prefer to install from sources, after installing the dependencies, obtain the source archive from
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`GitHub <https://github.com/diffpy/diffpy.snmf/>`_. Once installed, ``cd`` into your ``diffpy.snmf`` directory
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`GitHub <https://github.com/diffpy/diffpy.stretched-nmf/>`_. Once installed, ``cd`` into your ``diffpy.stretched-nmf`` 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.snmf --version
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diffpy.stretched-nmf --version
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You can also type the following command to verify the installation. ::
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python -c "import diffpy.snmf; print(diffpy.snmf.__version__)"
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python -c "import diffpy.stretched_nmf; print(diffpy.stretched_nmf.__version__)"
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To view the basic usage and available commands, type ::
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diffpy.snmf -h
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diffpy.stretched-nmf -h
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Getting Started
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---------------
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You may consult our `online documentation <https://diffpy.github.io/diffpy.snmf>`_ for tutorials and API references.
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You may consult our `online documentation <https://diffpy.github.io/diffpy.stretched-nmf>`_ for tutorials and API references.
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Support and Contribute
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----------------------
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If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.snmf/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.snmf/pulls>`_.
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If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.stretched-nmf/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.stretched-nmf/pulls>`_.
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Feel free to fork the project and contribute. To install diffpy.snmf
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Feel free to fork the project and contribute. To install diffpy.stretched-nmf
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in a development mode, with its sources being directly used by Python
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rather than copied to a package directory, use the following in the root
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directory ::
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Improvements and fixes are always appreciated.
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Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.snmf/blob/main/CODE-OF-CONDUCT.rst>`_.
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Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.stretched-nmf/blob/main/CODE-OF-CONDUCT.rst>`_.
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Contact
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-------
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For more information on diffpy.snmf please visit the project `web-page <https://diffpy.github.io/>`_ or email Simon Billinge at sb2896@columbia.edu.
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For more information on diffpy.stretched-nmf please visit the project `web-page <https://diffpy.github.io/>`_ or email Simon Billinge at sb2896@columbia.edu.
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Acknowledgements
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----------------
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``diffpy.snmf`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.
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``diffpy.stretched-nmf`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.

cookiecutter.json

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"maintainer_github_username": "sbillinge",
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"contributors": "Simon Billinge, John Halloran, Billinge Group members",
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"license_holders": "The Trustees of Columbia University in the City of New York",
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"project_name": "diffpy.snmf",
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"project_name": "diffpy.stretched-nmf",
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"github_username_or_orgname": "diffpy",
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"github_repo_name": "diffpy.snmf",
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"conda_pypi_package_dist_name": "diffpy.snmf",
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"package_dir_name": "diffpy.snmf",
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"github_repo_name": "diffpy.stretched-nmf",
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"conda_pypi_package_dist_name": "diffpy.stretched-nmf",
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"package_dir_name": "diffpy.stretched_nmf",
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"project_short_description": "A python package implementing the stretched NMF algorithm.",
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"project_keywords": "diffraction, PDF, x-ray, mapping",
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"minimum_supported_python_version": "3.11",

docs/Makefile

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SPHINXBUILD = sphinx-build
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PAPER =
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BUILDDIR = build
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BASENAME = $(subst .,,$(subst $() $(),,diffpy.snmf))
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BASENAME = $(subst .,,$(subst $() $(),,diffpy.stretched-nmf))
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# User-friendly check for sphinx-build
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ifeq ($(shell which $(SPHINXBUILD) >/dev/null 2>&1; echo $$?), 1)

docs/source/api/snmf_class.rst

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SNMFOptimizer
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=============
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.. autoclass:: diffpy.snmf.snmf_class.SNMFOptimizer
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.. autoclass:: diffpy.stretched_nmf.snmf_class.SNMFOptimizer
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:members: __init__, fit
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:undoc-members:
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:show-inheritance:

docs/source/conf.py

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#!/usr/bin/env python
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# -*- coding: utf-8 -*-
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#
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# diffpy.snmf documentation build configuration file, created by # noqa: E501
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# diffpy.stretched-nmf documentation build configuration file, created by # noqa: E501
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# sphinx-quickstart on Thu Jan 30 15:49:41 2014.
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#
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# This file is execfile()d with the current directory set to its
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# Attempt to import the version dynamically from GitHub tag.
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try:
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fullversion = version("diffpy.snmf")
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fullversion = version("diffpy.stretched-nmf")
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except Exception:
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fullversion = "No version found. The correct version will appear in the released version." # noqa: E501
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# General information about the project.
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project = "diffpy.snmf"
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project = "diffpy.stretched-nmf"
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copyright = "%Y, The Trustees of Columbia University in the City of New York"
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# The version info for the project you're documenting, acts as replacement for
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pygments_style = "sphinx"
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# A list of ignored prefixes for module index sorting.
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modindex_common_prefix = ["diffpy.snmf"]
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modindex_common_prefix = ["diffpy.stretched_nmf"]
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# Display all warnings for missing links.
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nitpicky = True
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html_context = {
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"display_github": True,
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"github_user": "diffpy",
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"github_repo": "diffpy.snmf",
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"github_repo": "diffpy.stretched-nmf",
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"github_version": "main",
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"conf_py_path": "/docs/source/",
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basename = "diffpy.snmf".replace(" ", "").replace(".", "")
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basename = "diffpy.stretched-nmf".replace(" ", "").replace(".", "")
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htmlhelp_basename = basename + "doc"
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latex_documents = [
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(
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"index",
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"diffpy.snmf.tex",
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"diffpy.snmf Documentation",
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"diffpy.stretched-nmf.tex",
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"diffpy.stretched-nmf Documentation",
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ab_authors,
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"manual",
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),
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man_pages = [
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(
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"index",
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"diffpy.snmf",
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"diffpy.snmf Documentation",
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"diffpy.stretched-nmf",
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"diffpy.stretched-nmf Documentation",
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ab_authors,
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1,
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)
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texinfo_documents = [
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(
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"index",
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"diffpy.snmf",
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"diffpy.snmf Documentation",
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"diffpy.stretched-nmf",
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"diffpy.stretched-nmf Documentation",
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ab_authors,
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"diffpy.snmf",
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"diffpy.stretched-nmf",
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"One line description of project.",
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"Miscellaneous",
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),

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