pyproject.toml

[build-system]
requires = ["setuptools", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "pypsc"
version = "0.2.1"
authors = [
    {name = "Muthu Vallinayagam", email = "muthu.vallinayagam@htw-dresden.de"},
    {name = "Melanie Netwich"},
    {name = "Matthias Zschornak"}
]
maintainers = [
  {name = "Muthu Vallinayagam", email = "muthu.vallin@gmail.com"}
]
description = "Predict crystal structures from available hkl information"
readme = "README.md"
requires-python = ">=3.10"
keywords = ["x-ray", "miller index", "python", "structure prediction", "inequalities", "polytope", "parameter space", "one-dimensionally projected structures"]
license = {file = "LICENSE"}
dependencies = [
    "numpy >= 1.24.0",
    "h5py >= 3.11.0",
    "cvxopt >= 1.3.2",
    "polytope >= 0.2.5",
    "scipy >= 1.14.1",
    "shapely >= 2.0.6",
    "matplotlib >= 3.9.0",
    "pandas >= 2.0.0",
    "intvalpy >= 1.6.0"
]

[tool.poetry.dev-dependencies]
pytest = "^7.0.0"

[project.urls]
Documentation = "https://github.com/mvnayagam/pypsc.git"
Repository = "https://github.com/mvnayagam/pypsc.git"
Issues = "https://github.com/mvnayagam/pypsc/issues"

[tool.setuptools.packages.find]
include = ["psc*"]

[tool.pylint.MASTER]
ignore-paths = ["^docs/.*$", "setup.py"]

[tool.mypy]
warn_return_any = true
warn_unused_configs = true
ignore_missing_imports = true
follow_imports = "silent"
disable_error_code = ["method-assign"]
strict = true