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‎.pre-commit-config.yaml‎

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@@ -16,7 +16,10 @@ repos:
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- id: check-yaml
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- id: end-of-file-fixer
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- id: trailing-whitespace
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exclude: '\.(rst|txt)$'
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- id: check-case-conflict
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- id: check-merge-conflict
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- id: check-toml
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- id: check-added-large-files
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- repo: https://github.com/psf/black
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rev: 24.4.2
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hooks:

‎AUTHORS.rst‎

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Authors
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=======
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Billinge Group and community contibutors.
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Billinge Group and community contributors.
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Contributors
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------------

‎MANIFEST.in‎

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include AUTHORS.rst
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include LICENSE
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include README.rst
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include requirements.txt
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recursive-exclude * __pycache__
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recursive-exclude * *.py[co]
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recursive-include docs *.rst conf.py Makefile make.bat
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include versioneer.py
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include diffpy.pdfmorph/_version.py
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# If including data files in the package, add them like:
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# include path/to/data_file
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graft src
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graft tests
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graft requirements
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include AUTHORS.rst LICENSE*.rst README.rst
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# Exclude all bytecode files and __pycache__ directories
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global-exclude *.py[cod] # Exclude all .pyc, .pyo, and .pyd files.
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global-exclude .DS_Store # Exclude Mac filesystem artifacts.
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global-exclude __pycache__ # Exclude Python cache directories.
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global-exclude .git* # Exclude git files and directories.
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global-exclude .idea # Exclude PyCharm project settings.

‎doc/make.bat‎

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@@ -1,36 +1,36 @@
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@ECHO OFF
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pushd %~dp0
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REM Command file for Sphinx documentation
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if "%SPHINXBUILD%" == "" (
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set SPHINXBUILD=sphinx-build
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)
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set SOURCEDIR=source
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set BUILDDIR=build
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set SPHINXPROJ=PackagingScientificPython
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if "%1" == "" goto help
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%SPHINXBUILD% >NUL 2>NUL
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if errorlevel 9009 (
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echo.
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echo.The 'sphinx-build' command was not found. Make sure you have Sphinx
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echo.installed, then set the SPHINXBUILD environment variable to point
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echo.to the full path of the 'sphinx-build' executable. Alternatively you
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echo.may add the Sphinx directory to PATH.
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echo.
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echo.If you don't have Sphinx installed, grab it from
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echo.http://sphinx-doc.org/
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exit /b 1
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)
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%SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS%
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goto end
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:help
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%SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS%
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:end
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popd
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@ECHO OFF
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pushd %~dp0
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REM Command file for Sphinx documentation
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if "%SPHINXBUILD%" == "" (
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set SPHINXBUILD=sphinx-build
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)
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set SOURCEDIR=source
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set BUILDDIR=build
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set SPHINXPROJ=PackagingScientificPython
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if "%1" == "" goto help
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%SPHINXBUILD% >NUL 2>NUL
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if errorlevel 9009 (
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echo.
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echo.The 'sphinx-build' command was not found. Make sure you have Sphinx
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echo.installed, then set the SPHINXBUILD environment variable to point
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echo.to the full path of the 'sphinx-build' executable. Alternatively you
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echo.may add the Sphinx directory to PATH.
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echo.
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echo.If you don't have Sphinx installed, grab it from
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echo.http://sphinx-doc.org/
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exit /b 1
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)
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%SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS%
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goto end
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:help
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%SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS%
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:end
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popd

‎pyproject.toml‎

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[build-system]
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requires = ["setuptools>=62.0", "setuptools-git-versioning<2"]
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requires = ["setuptools>=62.0", "setuptools-git-versioning>=2.0"]
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build-backend = "setuptools.build_meta"
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[project]
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name = "diffpy.pdfmorph"
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dynamic=['version']
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dynamic=['version', 'dependencies']
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authors = [
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{ name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" },
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]
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[project.urls]
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Homepage = "https://github.com/diffpy/diffpy.pdfmorph/"
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Issues = "https://github.com/diffpy/diffpy.pdfmorph/issues"
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[tool.pytest.ini_options]
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pythonpath = ["src"]
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Issues = "https://github.com/diffpy/diffpy.pdfmorph/issues/"
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[tool.setuptools-git-versioning]
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enabled = true
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[tool.setuptools.packages.find]
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where = ["src"] # list of folders that contain the packages (["."] by default)
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include = ["*"] # package names should match these glob patterns (["*"] by default)
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exclude = ["diffpy.pdfmorph.tests*"] # exclude packages matching these glob patterns (empty by default)
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exclude = ["tests"] # exclude packages matching these glob patterns (empty by default)
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namespaces = false # to disable scanning PEP 420 namespaces (true by default)
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[tool.setuptools.dynamic]
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dependencies = {file = ["requirements/run.txt"]}
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[tool.black]
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line-length = 115
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include = '\.pyi?$'

‎requirements/README.txt‎

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# YOU MAY DELETE THIS FILE AFTER SETTING UP DEPENDENCIES!
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#
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# This directory is where you should place your project dependencies.
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# "pip.txt" should contain all required packages not available on conda.
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# All other files should contain only packages available to download from conda.
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# build.txt should contain all packages required to build (not run) the project.
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# run.txt should contain all packages (including optional packages) required for a user to run the program.
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# test.txt should contain all packages required for the testing suite and to ensure all tests pass.
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# docs.txt should contain all packages required for building the package documentation page.
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#
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# YOU MAY DELETE THIS FILE AFTER SETTING UP DEPENDENCIES!

‎requirements/run.txt‎

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numpy
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scipy
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diffpy.utils
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matplotlib-base
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matplotlib
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bg-mpl-stylesheets

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