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fe5f7ca
chore: pre-commit auto fixes from prettier
zmx27 Jun 10, 2025
542b1d6
Merge pull request #200 from zmx27/migration
sbillinge Jun 10, 2025
fb15602
skpkg: migrate src folder
zmx27 Jun 10, 2025
88d6b23
skpkg: migrate tests folder
zmx27 Jun 10, 2025
52a9c0a
skpkg: list dependencies in requirements folder
zmx27 Jun 10, 2025
a36ba7a
skpkg: add CI and issue/PR templates
zmx27 Jun 10, 2025
4ab9112
skpkg: add pyproject.toml
zmx27 Jun 10, 2025
dfc7e55
fix: revert necessary files that were modified
zmx27 Jun 10, 2025
b3b1866
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Jun 10, 2025
2574356
skpkg: add config files for pre-commit
zmx27 Jun 10, 2025
e7e38aa
skpkg: add config files readthedocs, codecov, GitHub
zmx27 Jun 10, 2025
4af26da
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Jun 11, 2025
2ecce36
fix: add back deleted segments in files
zmx27 Jun 11, 2025
c6cad31
Merge branch 'config' of github.com:zmx27/diffpy.morph into config
zmx27 Jun 11, 2025
fcbe82c
Merge pull request #201 from zmx27/setup-CI
sbillinge Jun 11, 2025
8aee5b6
refactor: delete setup.cfg block and remove code in init.py
zmx27 Jun 11, 2025
4e8a295
fix merge conflict
zmx27 Jun 11, 2025
e31ce7a
refactor: delete socioeconomic, etc from .codespell
zmx27 Jun 11, 2025
fc5bac1
refactor: revert changes in .codespell to pass CI
zmx27 Jun 11, 2025
00f3e2b
skpkg: migrate documentation
zmx27 Jun 11, 2025
d68e027
skpkg: add config files for authors, changelog, code of conduct, license
zmx27 Jun 11, 2025
db42bc7
skpkg: add README.rst
zmx27 Jun 11, 2025
858d832
skpkg: add news files
zmx27 Jun 11, 2025
40c9f88
Merge pull request #202 from zmx27/config
sbillinge Jun 11, 2025
f08888f
docs: update CHANGELOG.rst
zmx27 Jun 11, 2025
8593a17
Merge branch 'migration' of github.com:diffpy/diffpy.morph into doc
zmx27 Jun 11, 2025
3d8f952
docs: revert changes on authors and code of conduct
zmx27 Jun 11, 2025
9422c9e
skpkg: migrate all news files
zmx27 Jun 11, 2025
c83de82
skpkg: change email in README and migrate diffpy.morph and index.rst
zmx27 Jun 12, 2025
5d231df
skpkg: migrate doc/manual folder
zmx27 Jun 12, 2025
d0c2a2f
skpkg: delete example files and standardize index.rst
zmx27 Jun 12, 2025
b397292
skpkg: change copyright years and delete more example templates
zmx27 Jun 12, 2025
71e6fbb
Merge pull request #204 from zmx27/doc
sbillinge Jun 13, 2025
c7b2f71
skpkg: migrate large doc/manual files
zmx27 Jun 13, 2025
fb1579f
Merge pull request #205 from zmx27/manual
sbillinge Jun 13, 2025
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2 changes: 1 addition & 1 deletion AUTHORS.rst
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
Authors
========
=======

Billinge Group and community contributors.

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2 changes: 1 addition & 1 deletion CHANGELOG.rst
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
=============
Release Notes
Release notes
=============

.. current developments
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2 changes: 1 addition & 1 deletion CODE_OF_CONDUCT.rst
Original file line number Diff line number Diff line change
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.

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3 changes: 1 addition & 2 deletions LICENSE.rst
Original file line number Diff line number Diff line change
@@ -1,7 +1,6 @@
BSD 3-Clause License

Copyright (c) 2024, The Trustees of Columbia University
in the City of New York.
Copyright (c) 2024-2025, 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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26 changes: 17 additions & 9 deletions README.rst
Original file line number Diff line number Diff line change
@@ -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 @@ -107,11 +110,11 @@ 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>`_.
Expand Down Expand Up @@ -174,7 +177,7 @@ 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 +198,9 @@ 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 sb2896@columbia.edu.
For more information on diffpy.morph please visit the project `web-page <https://diffpy.github.io/>`_ or email Simon J.L. Billinge group at sb2896@columbia.edu.

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

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