pyproject.toml

[build-system]
requires = ["setuptools >= 64"]
build-backend = "setuptools.build_meta"

[project]
name = "asyncmd"
version = "0.3.2"
dependencies = ["aiofiles",
                "mdanalysis",
                "numpy",
                "scipy",
                ]
requires-python = ">=3.10"
authors = [{ name = "Hendrik Jung", email = "hendrik.jung@biophys.mpg.de"}]
maintainers = [{ name = "Hendrik Jung", email = "hendrik.jung@biophys.mpg.de"}]
description = """asyncmd is a library to write concurrent code to run and \
analyze molecular dynamics simulations using pythons async/await synthax."""
readme = "README.md"
keywords = ["molecular dynamics", "molecular-dynamics", "MD",
            "high performance computing", "HPC",
            "slurm", "SLURM",
            "gromacs", "GROMACS",
            ]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "Natural Language :: English",
    "License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
    "Operating System :: OS Independent",
    "Programming Language :: Python",
    "Programming Language :: Python :: 3",
    "Topic :: Scientific/Engineering",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Physics",
    "Topic :: Software Development :: Libraries :: Python Modules",
]

[project.optional-dependencies]
docs = ["sphinx"]
tests = ["pytest", "pytest-asyncio"]
tests-all = ["asyncmd[tests]", "h5py", "coverage", "pytest-cov"]
dev = ["asyncmd[docs,tests-all]"]

[project.urls]
#Documentation =
Repository = "https://github.com/bio-phys/asyncmd.git"
Issues = "https://github.com/bio-phys/asyncmd/issues"

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