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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["ase", "atomistics", "jinja2", "numpy", "pandas", "pylammpsmpi", "setuptools", "versioneer[toml]==0.29"]
build-backend = "setuptools.build_meta"
[project]
name = "pyiron_lammps"
description = "Vector-oriented LAMMPS interface to rapidly iterate over series of atomistic structures or interatomic potentials."
authors = [
{ name = "Jan Janssen", email = "janssen@mpie.de" },
]
readme = "README.md"
license = { file = "LICENSE" }
keywords = ["pyiron"]
requires-python = ">=3.9, <3.13"
classifiers = [
"Development Status :: 5 - Production/Stable",
"Topic :: Scientific/Engineering :: Physics",
"License :: OSI Approved :: BSD License",
"Intended Audience :: Science/Research",
"Operating System :: OS Independent",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
]
dependencies = [
"ase==3.23.0",
"atomistics==0.1.32",
"numpy==1.26.4",
"pandas==2.2.2",
"jinja2==3.1.4",
"pylammpsmpi==0.2.25",
]
dynamic = ["version"]
[project.urls]
Homepage = "https://github.com/pyiron/pyiron_lammps"
Documentation = "https://github.com/pyiron/pyiron_lammps"
Repository = "https://github.com/pyiron/pyiron_lammps"
[tool.setuptools.packages.find]
include = ["pyiron_lammps*"]
[tool.setuptools.dynamic]
version = {attr = "pyiron_lammps.__version__"}
[tool.versioneer]
VCS = "git"
style = "pep440-pre"
versionfile_source = "pyiron_lammps/_version.py"
parentdir_prefix = "pyiron_lammps"
tag_prefix = "pyiron_lammps-"