pyproject.toml

[build-system]
build-backend = "setuptools.build_meta"
requires = ["setuptools >= 65.0.0", "versioningit ~= 1.0", "wheel"]

[project]
authors = [
  { name = "Matthew Kuner", email = "matthewkuner@gmail.com" },
  { name = "Janosh Riebesell"},
  { name = "Jason Munro"},
  { name = "Aaron Kaplan"},
]
classifiers = [
  "Programming Language :: Python :: 3",
  "Programming Language :: Python :: 3.8",
  "Programming Language :: Python :: 3.9",
  "Programming Language :: Python :: 3.10",
  "Programming Language :: Python :: 3.11",
  "Development Status :: 4 - Beta",
  "Intended Audience :: Science/Research",
  "Operating System :: OS Independent",
  "Topic :: Scientific/Engineering",
  "Topic :: Scientific/Engineering :: Information Analysis",
  "Topic :: Scientific/Engineering :: Physics",
  "Topic :: Scientific/Engineering :: Chemistry",
  "Topic :: Software Development :: Libraries :: Python Modules",
]
dependencies = [
  "pymatgen",
  "numpy",
  "requests",
]
description = "A comprehensive I/O validator for electronic structure calculations"
dynamic = ["version"]
keywords = ["io", "validation", "dft", "vasp"]
license = { text = "modified BSD" }
name = "pymatgen-io-validation"
readme = "README.md"
requires-python = '>=3.8'

[project.optional-dependencies]
dev = ["pre-commit>=2.12.1"]
#docs = ["jupyter-book>=0.13.1",]

tests = ["pytest==8.3.3", "pytest-cov==6.0.0", "types-requests"]


[tool.setuptools.dynamic]
readme = { file = ["README.md"] }

#[project.urls]
#repository = "https://github.com/materialsproject/pymatgen-io-validation"

[tool.setuptools.packages.find]
exclude = ["tests"]
where = ["./"]

[tool.versioningit.vcs]
default-tag = "0.0.1"
method = "git"

[tool.isort]
profile = "black"

[tool.black]
line-length = 120

[tool.blacken-docs]
line-length = 120

[tool.flake8]
extend-ignore = "E203, W503, E501, F401, RST21"
max-line-length = 120
max-doc-length = 120
min-python-version = "3.8.0"
rst-roles = "class, func, ref, obj"
select = "C, E, F, W, B, B950"

[tool.mypy]
ignore_missing_imports = true
no_strict_optional = true

[tool.coverage.run]
branch = true
include = ["pymatgen/*"]
parallel = true

[tool.coverage.paths]
source = ["pymatgen/"]

[tool.coverage.report]
show_missing = true
skip_covered = true

[tool.pydocstyle]
convention = 'google'
match = '^pymatgen/(?!_).*\.py'
inherit = false
add-ignore = "D107, "

[tool.autoflake]
in-place = true
remove-unused-variables = true
remove-all-unused-imports = true
expand-star-imports = true
ignore-init-module-imports = true