[build-system]
requires = ["setuptools >= 80.0", "setuptools_scm[simple] >= 8"]
build-backend = "setuptools.build_meta"

[project]
name = "molecular_dynamics_toy"
#version = "0.1.0"
dynamic = ["version"]
description = "Interactive molecular dynamics simulation for educational purposes"
requires-python = ">=3.9"
dependencies = [
    "ase",
    "numpy",
    "pygame",
    "mattersim",
]
authors = [
    {name = "Bernard Field", email = "bfield@lbl.gov"},
]
maintainers = [
    {name = "Bernard Field", email = "bfield@lbl.gov"},
]
readme = "README.md"
license = "GPL-3.0-or-later"
license-files = ["LICENSE.txt"]
classifiers = [
    "Development Status :: 3 - Alpha",
    "Intended Audience :: Education",
    "Intended Audience :: End Users/Desktop",
    "Intended Audience :: Science/Research",
    "Programming Language :: Python :: 3",
    "Topic :: Education",
    "Topic :: Games/Entertainment :: Simulation",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Physics",
]

[project.optional-dependencies]
dev = [
    "pytest",
    "pytest-cov",
    "pyinstaller",
    "pip-licenses",
    "beautifulsoup4",
]

[project.urls]
Repository = "https://github.com/bfield1/molecular-dynamics-toy"
