sumo/pyproject.toml at master · SMTG-Bham/sumo · GitHub

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[build-system]
requires = ["setuptools ~= 82.0"]
build-backend = "setuptools.build_meta"

[project]
name = "sumo"
dynamic = ["version"]
authors = [
  {name = "Alex Ganose"},
  {name = "Adam J. Jackson"},
  {name = "David Scanlon", email = "d.o.scanlon@bham.ac.uk"},
]
description = "Heavy weight plotting tools for ab initio solid-state calculations"
readme = "README.rst"
license = "MIT"
license-files = ["LICENSE"]
classifiers = [
  "Development Status :: 5 - Production/Stable",
  "Intended Audience :: Science/Research",
  "Natural Language :: English",
  "Programming Language :: Python :: 3 :: Only",
  "Programming Language :: Python :: 3.10",
  "Topic :: Scientific/Engineering :: Chemistry",
  "Topic :: Scientific/Engineering :: Physics",
]
keywords = [
  "chemistry",
  "pymatgen",
  "dft",
  "vasp",
  "dos",
  "band",
]

requires-python = ">=3.10"
dependencies = [
  "spglib",
  "numpy",
  "scipy",
  "h5py",
  "pymatgen>=2020.10.20",
  "phonopy>=2.7.0",
  "matplotlib>=3.2.0",
  "seekpath",
  "castepxbin<1.0",
  "colormath",
]

[project.urls]
Repository = "https://github.com/SMTG-Bham/sumo"
"Bug Tracker" = "https://github.com/SMTG-Bham/sumo/issues"
Documentation = "https://smtg-bham.github.io/sumo/"

[project.optional-dependencies]
docs = ["sphinx", "sphinx-argparse"]
tests = ["pytest"]
dev = ["pre-commit"]

[project.scripts]
  sumo-bandplot = "sumo.cli.bandplot:main"
  sumo-bandstats = "sumo.cli.bandstats:main"
  sumo-dosplot = "sumo.cli.dosplot:main"
  sumo-kgen = "sumo.cli.kgen:main"
  sumo-phonon-bandplot = "sumo.cli.phonon_bandplot:main"
  sumo-optplot = "sumo.cli.optplot:main"

[tool.setuptools.packages.find]
where = ["."]

[tool.setuptools.package-data]
sumo = [
  "symmetry/bradcrack.json",
  "plotting/orbital_colours.conf",
  "plotting/*.mplstyle",
]

[tool.setuptools.dynamic]
version = {attr = "sumo.__version__"}