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pyproject.toml
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pyproject.toml
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[project]
name = "phonopy-vibspec"
dynamic = ["version"]
description = "Simulate IR and Raman spectra with Phonopy"
readme = "README.md"
requires-python = ">=3.10"
license = {file = "LICENSE"}
authors = [
{name = "Pierre Beaujean", email = "[email protected]" }
]
maintainers = [
{name = "Pierre Beaujean", email = "[email protected]" }
]
classifiers = [
# For a list of valid classifiers, see https://pypi.org/classifiers/
"Development Status :: 3 - Alpha",
"Intended Audience :: Developers",
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3 :: Only",
]
dependencies = [
"numpy",
"phonopy"
]
[project.optional-dependencies]
dev = [
"flake8",
"flake8-quotes",
"autopep8",
"bump2version",
"pytest"
]
[project.urls]
"Homepage" = "https://github.com/pierre-24/phonopy-vibspec"
"Bug Reports" = "https://github.com/pierre-24/phonopy-vibspec/issues"
"Source" = "https://github.com/pierre-24/phonopy-vibspec/"
[project.scripts]
'phonopy-vs-modes' = 'phonopy_vibspec.scripts.vesta_modes:main'
'phonopy-vs-ir' = 'phonopy_vibspec.scripts.spectrum_ir:main'
'phonopy-vs-prepare-raman' = 'phonopy_vibspec.scripts.prepare_raman:main'
'phonopy-vs-gather-raman' = 'phonopy_vibspec.scripts.gather_raman:main'
'phonopy-vs-raman' = 'phonopy_vibspec.scripts.spectrum_raman:main'
[tool.setuptools]
packages = ['phonopy_vibspec', 'phonopy_vibspec.scripts']
[tool.setuptools.dynamic]
version = {attr = "phonopy_vibspec.__version__"}
[build-system]
requires = ["setuptools>=43.0.0", "wheel"]