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4 changes: 2 additions & 2 deletions AUTHORS.rst
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
Authors
========
=======

Billinge Group and community contributors.
Sangjoon Lee, Simon Billinge, Billinge Group members
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This should stay as it was.


Contributors
------------
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67 changes: 1 addition & 66 deletions CHANGELOG.rst
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@@ -1,70 +1,5 @@
=============
Release Notes
Release notes
=============

.. current developments

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we need all these old changelogs.

0.1.3
=====

**Added:**

* Add GitHub action to build wheel, release, upload.
* Add issue and bug report templates.

**Changed:**

* README file installation instructions updated.

**Fixed:**

* Mathematical error in manual


0.1.2
=====

**Changed:**

* downgraded matplotlib requirement to matplotlib-base
* updated imports of bg-mpl-stylesheets for latest release of that code



0.1.1
=====



0.1.1
=====

**Fixed:**

* README title so that it is valid syntax for uploading to PyPi



0.1.0
=====

**Added:**

* Add ability to perform multiple morphs in one call using --multiple.
* A FILE is morphed against every file in a given DIRECTORY.
* Can sort PDFs by some field parameter in the header using --sort-by.
* Can also find the field from some serialized metadata file using --serial-file.
* pdfmorph python function call, which reproduce the application

**Changed:**

* Can now use --verbose tag to limit amount of header information



v0.0.1
====================

**Changed:**

* Fixed rever GH address
4 changes: 2 additions & 2 deletions CODE_OF_CONDUCT.rst
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Expand Up @@ -8,7 +8,7 @@ Our Pledge
We as members, contributors, and leaders pledge to make participation in our
community a harassment-free experience for everyone, regardless of age, body
size, visible or invisible disability, ethnicity, sex characteristics, gender
identity and expression, level of experience, education, socio-economic status,
identity and expression, level of experience, education, socioeconomic status,
nationality, personal appearance, race, caste, color, religion, or sexual
identity and orientation.

Expand Down Expand Up @@ -67,7 +67,7 @@ Enforcement

Instances of abusive, harassing, or otherwise unacceptable behavior may be
reported to the community leaders responsible for enforcement at
[email protected]. All complaints will be reviewed and investigated promptly and fairly.
[email protected]. All complaints will be reviewed and investigated promptly and fairly.
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this should be my columbia email if possible. If this change is coming from skpkg, could we put in an issue to change it there?

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This change comes from the original pyproject.toml file, which listed your non-Columbia email. I can change this back

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gotcha. Yes, I would like this changed to my Columbia email in this case, though it was a good choice to have the instinct to change it the way you did....


All community leaders are obligated to respect the privacy and security of the
reporter of any incident.
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3 changes: 1 addition & 2 deletions LICENSE.rst
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@@ -1,7 +1,6 @@
BSD 3-Clause License

Copyright (c) 2024, The Trustees of Columbia University
in the City of New York.
Copyright (c) 2025, The Trustees of Columbia University in the City of New York.
All rights reserved.

Redistribution and use in source and binary forms, with or without
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36 changes: 19 additions & 17 deletions README.rst
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@@ -1,11 +1,14 @@
|Icon| `diffpy.morph <https://diffpy.github.io/diffpy.morph>`_
==============================================================
|Icon| |title|_
===============

.. |title| replace:: diffpy.morph
.. _title: https://diffpy.github.io/diffpy.morph

.. |Icon| image:: https://avatars.githubusercontent.com/diffpy
:target: https://diffpy.github.io/diffpy.morph
:height: 100px

|PyPi| |Forge| |PythonVersion| |PR|
|PyPI| |Forge| |PythonVersion| |PR|

|CI| |Codecov| |Black| |Tracking|

Expand All @@ -23,7 +26,7 @@

.. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff

.. |PyPi| image:: https://img.shields.io/pypi/v/diffpy.morph
.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.morph
:target: https://pypi.org/project/diffpy.morph/

.. |PythonVersion| image:: https://img.shields.io/pypi/pyversions/diffpy.morph
Expand All @@ -32,7 +35,7 @@
.. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
:target: https://github.com/diffpy/diffpy.morph/issues

Tools for manipulating and comparing PDF profiles
Python package for manipulating and comparing PDF profiles

``diffpy.morph`` is a Python software package designed to increase the insight
researchers can obtain from measured atomic pair distribution functions
Expand Down Expand Up @@ -107,19 +110,15 @@ The following creates and activates a new environment named ``diffpy.morph_env``
conda create -n diffpy.morph_env diffpy.morph
conda activate diffpy.morph_env

To confirm that the installation was successful, type::
To confirm that the installation was successful, type ::

python -c "import diffpy.morph; print(diffpy.morph.__version__)"

The output should print the latest version displayed on the badges above.
The output should print the latest version displayed on the badges above.

If the above does not work, you can use ``pip`` to download and install the latest release from
`Python Package Index <https://pypi.python.org>`_.
To install using ``pip`` into your ``diffpy.morph_env`` environment, we will also have to install dependencies ::

pip install -r https://raw.githubusercontent.com/diffpy/diffpy.morph/main/requirements/pip.txt

and then install the package ::
To install using ``pip`` into your ``diffpy.morph_env`` environment, type ::

pip install diffpy.morph

Expand Down Expand Up @@ -165,16 +164,14 @@ Enjoy!
Support and Contribute
----------------------

`Diffpy user group <https://groups.google.com/g/diffpy-users>`_ is the discussion forum for general questions and discussions about the use of diffpy.morph. Please join the diffpy.morph users community by joining the Google group. The diffpy.morph project welcomes your expertise and enthusiasm!

If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.morph/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.morph/pulls>`_. You can also post it to the `Diffpy user group <https://groups.google.com/g/diffpy-users>`_.
If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.morph/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.morph/pulls>`_.

Feel free to fork the project and contribute. To install diffpy.morph
in a development mode, with its sources being directly used by Python
rather than copied to a package directory, use the following in the root
directory ::

pip install -e .
pip install -e .

To ensure code quality and to prevent accidental commits into the default branch, please set up the use of our pre-commit
hooks.
Expand All @@ -195,4 +192,9 @@ Before contributing, please read our `Code of Conduct <https://github.com/diffpy
Contact
-------

For more information on diffpy.morph please visit the project `web-page <https://diffpy.github.io/>`_ or email Prof. Simon Billinge at [email protected].
For more information on diffpy.morph please visit the project `web-page <https://diffpy.github.io/>`_ or email Simon J.L. Billinge group at [email protected].

Acknowledgements
----------------

``diffpy.morph`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.
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