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diffpy.srreal/pyproject.toml at main · diffpy/diffpy.srreal · GitHub
diffpy
diffpy.srreal
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pyproject.toml
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pyproject.toml
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[
build-system
]
requires
= [
"
scikit-build-core>=0.10
"
,
"
setuptools-scm>=8
"
,
"
nanobind>=3.1,<4
"
,
]
build-backend
=
"
scikit_build_core.build
"
[
project
]
name
=
"
diffpy.srreal
"
dynamic
= [
"
version
"
]
dependencies
= [
"
numpy
"
]
authors
= [
{
name
=
'
Simon Billinge
'
,
email
=
'
sbillinge@ucsb.edu
'
},
]
maintainers
= [
{
name
=
'
Simon Billinge
'
,
email
=
'
sbillinge@ucsb.edu
'
},
]
description
=
"
Calculators for PDF, bond valence sum, and other quantities based on atom pair interaction.
"
keywords
= [
'
PDF
'
,
'
BVS
'
,
'
atom
'
,
'
overlap
'
,
'
calculator
'
,
'
real-space
'
]
readme
=
"
README.rst
"
requires-python
=
"
>=3.12, <3.15
"
classifiers
= [
'
Development Status :: 5 - Production/Stable
'
,
'
Environment :: Console
'
,
'
Intended Audience :: Developers
'
,
'
Intended Audience :: Science/Research
'
,
'
License :: OSI Approved :: BSD License
'
,
'
Operating System :: MacOS :: MacOS X
'
,
'
Operating System :: Microsoft :: Windows
'
,
'
Operating System :: POSIX
'
,
'
Operating System :: Unix
'
,
'
Programming Language :: Python :: 3.12
'
,
'
Programming Language :: Python :: 3.13
'
,
'
Programming Language :: Python :: 3.14
'
,
'
Topic :: Scientific/Engineering :: Physics
'
,
'
Topic :: Scientific/Engineering :: Chemistry
'
,
]
[
project
.
urls
]
Homepage
=
"
https://github.com/diffpy/diffpy.srreal/
"
Issues
=
"
https://github.com/diffpy/diffpy.srreal/issues/
"
[
tool
.
scikit-build
]
minimum-version
=
"
build-system.requires
"
cmake.build-type
=
"
Release
"
wheel.packages
= [
"
src/diffpy
"
]
sdist.exclude
= [
"
.agents
"
,
"
.codex
"
,
"
cache
"
,
"
build
"
,
"
dist
"
]
metadata.version.provider
=
"
scikit_build_core.metadata.setuptools_scm
"
[
tool
.
setuptools_scm
]
version_scheme
=
"
no-guess-dev
"
[
project
.
optional-dependencies
]
test
= [
"
pytest
"
,
"
diffpy.structure
"
,
"
periodictable
"
]
[
tool
.
codespell
]
exclude-file
=
"
.codespell/ignore_lines.txt
"
ignore-words
=
"
.codespell/ignore_words.txt
"
skip
=
"
*.cif,*.dat
"
[
tool
.
docformatter
]
recursive
=
true
wrap-summaries
=
72
wrap-descriptions
=
72
[
tool
.
black
]
line-length
=
79
include
=
'
\.pyi?$
'
exclude
=
'''
/(
\.git
| \.hg
| \.mypy_cache
| \.tox
| \.venv
| \.rst
| \.txt
| _build
| buck-out
| build
| dist
# The following are specific to Black, you probably don't want those.
| blib2to3
| tests/data
)/
'''
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