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sbillinge merged 3 commits into from
Nov 20, 2025
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skpkg: add CHAGELOG.rst, README.rst, license, update pyproject.toml #150

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d6fc863
skpkg: add CHAGELOG.rst, README.rst, license, update pyproject.toml
stevenhua0320 Nov 20, 2025
a0d4c2c
chore: Add instructions back to README.rst and revert history of CHAN…
stevenhua0320 Nov 20, 2025
f795440
chore: add activate for env to make consistent.
stevenhua0320 Nov 20, 2025
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chore: Add instructions back to README.rst and revert history of CHAN… 
…GELOG.rst
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@stevenhua0320
stevenhua0320 committed Nov 20, 2025
commit a0d4c2c4ebb3de19351167b7297cc41c2ccccddd
68 changes: 68 additions & 0 deletions CHANGELOG.rst
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Expand Up @@ -3,3 +3,71 @@ Release notes
=============

.. current developments

1.5.1
=====

**Fixed:**

* Fixed `SystemError` and `MemoryError` for `redirect_stdout` on Windows with Python 3.13.

**Removed:**

* Removed `restore_stdout` function and wrapper.


1.5.0
=====

**Added:**

* Python 3.11, 3.12 support
* Option to skip printing of introductory information when initializing the `PdfFit` class.
* Added additional runtime linker flags in `CustomBuildExt.run` to embed the `RPATH` flags for the built extensions.
* Support for retrieving GSL configuration from `CONDA_PREFIX`/ `GSL_PATH` on all platforms.
* Separate installation instruction for macOS (Arm64) in READEM
* Added `restore_stdout` function and wrapper.
* Added Python 3.13 support.

**Changed:**

* Changed setup.py to lazy evaluate gsl installation.
* Documentation brought up to date
* Merged the GSL configuration logic in `setup.py`.
* Changed `pytest` `capture_output` fixture. Now automatically restores `sys.stdout`.

**Fixed:**

* remove older conda-recipe files
* moved the tests directory from src to the root using conftest.py.
* fixed a circular import bug during " pip install ." in GitHub CI.
* renamed .py files under tests to snake_case.
* add PyPI packages under pip.txt
* re-cookiecutter to group's package standard
* Fix missing `__date__`, use PyPI release date.
* Fixed `SystemError` when running `pytest` on Windows with Python 3.13.

**Removed:**

* Python <= 3.10 support
* Six dependency and py2 support


1.4.2
=====

**Added:**

* Support for Python 3.11, 3.12

**Changed:**

* No notable functional changes from 1.4.1

1.4.4rc0
========

**Fixed:**

* Code linted to group flake8 standards
* Package structure moved to diffpy standard structure
25 changes: 16 additions & 9 deletions README.rst
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Expand Up @@ -79,6 +79,11 @@ If you use diffpy.pdffit2 in a scientific publication, we would like you to cite
Installation
------------

diffpy.pdffit2 supports Python 3.11, 3.12, and 3.13.

Windows, macOS (non-Arm64), Linux
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

The preferred method is to use `Miniconda Python
<https://docs.conda.io/projects/miniconda/en/latest/miniconda-install.html>`_
and install from the "conda-forge" channel of Conda packages.
Expand All @@ -93,7 +98,16 @@ The following creates and activates a new environment named ``diffpy.pdffit2_env
conda create -n diffpy.pdffit2_env diffpy.pdffit2
conda activate diffpy.pdffit2_env

The output should print the latest version displayed on the badges above.
To confirm that the installation was successful, type ::

python -c "import diffpy.pdffit2; print(diffpy.pdffit2.__version__)"

macOS (Arm64)
~~~~~~~~~~~~~

Create a new conda environment ``diffpy.pdffit2_env``: ::

conda create -n diffpy.pdffit2_env python=3.13

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 All @@ -107,19 +121,12 @@ and run the following ::

pip install .

This package also provides command-line utilities. To check the software has been installed correctly, type ::

diffpy.pdffit2 --version

You can also type the following command to verify the installation. ::
You can type the following command to verify the installation is successful. ::

python -c "import diffpy.pdffit2; print(diffpy.pdffit2.__version__)"


To view the basic usage and available commands, type ::

diffpy.pdffit2 -h

Getting Started
---------------

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