pyproject.toml

[project]
name = "pyMolDyn"
description = "A molecule viewer with cavity computation."
readme = "README.rst"
requires-python = ">=3.9"
license = {file = "LICENSE"}
keywords = ["scientific"]
authors = [
    {name = "Florian Rhiem", email = "f.rhiem@fz-juelich.de"},
    {name = "Fabian Beule", email = "f.beule@fz-juelich.de"},
    {name = "David Knodt"},
    {name = "Ingo Meyer", email = "i.meyer@fz-juelich.de"},
    {name = "Torben Moll", email = "t.moll@fz-juelich.de"},
    {name = "Florian Macherey"}
]
maintainers = [
    {name = "Ingo Meyer", email = "i.meyer@fz-juelich.de"}
]
classifiers = [
    "Development Status :: 5 - Production/Stable",
    "Environment :: Console",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: MIT License",
    "Natural Language :: English",
    "Operating System :: MacOS",
    "Operating System :: Microsoft :: Windows",
    "Operating System :: POSIX :: Linux",
    "Programming Language :: C",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3 :: Only",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Topic :: Scientific/Engineering :: Physics",
    "Topic :: Scientific/Engineering :: Visualization",
]
dependencies = [
    "gr",
    "h5py",
    "Jinja2",
    "numpy",
    "PyOpenGL",
    "PySide6",
    "python-dateutil",
]
dynamic = ["version"]

[project.urls]
"Homepage" = "https://pgi-jcns.fz-juelich.de/portal/pages/pymoldyn-main.html"

[project.scripts]
pymoldyn-cli = "pymoldyn.cli:main"

[project.gui-scripts]
pymoldyn = "pymoldyn.gui:main"

[build-system]
requires = [
    "gr",
    "setuptools>=61.0.0",
    "wheel",
]
build-backend = "setuptools.build_meta"

[tool.setuptools]
include-package-data = true

[tool.setuptools.packages.find]
where = ["."]
include = ["pymoldyn*"]
exclude = []

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