pyproject.toml

[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"

[project]
name = "MDNP"
version = "0.0.1"
authors = [{ name = "Egor Perevoshchikov", email = "abkein@abkein.ru" }]
description = "A package for post processing LAMMPS dumps in ADIOS2 format"
readme = "README.md"
license = { text = "MIT License" }
requires-python = ">=3.8"
classifiers = [
    "Development Status :: 3 - Alpha",
    "Intended Audience :: Education",
    "Intended Audience :: Science/Research",
    "Programming Language :: Python :: 3",
    "License :: OSI Approved :: MIT License",
    "Operating System :: Unix",
    "Topic :: Scientific/Engineering :: Physics",
    "Topic :: Scientific/Engineering :: Chemistry",
]

[project.scripts]
# MDsimp = "MDNP.nonmpi.simp:main"
MDpost_run = "MDNP.mpi.runner:mpi_wrap"
MDDP = "MDNP.utilities.dp:main"
# MDunite = "MDNP.utilities.unite:main"


[project.urls]
"Homepage" = "https://github.com/Architect0rr/MDNP"
"Bug Tracker" = "https://github.com/Architect0rr/MDNP/issues"