pyproject.toml

[build-system]
requires = [
  "setuptools >= 61.0",
  "wheel",
]
build-backend = "setuptools.build_meta"

[project]
name = "domhmm"
description = "HMM model to determine Lo or Ld domains from coarse grained or atomistic MD simulations."
license = {file = "LICENSE" }
authors = [
    {name = "Marius FW Trollmann", email = "marius.trollmann@fau.de"},
    {name = "Yusuf Eren Tunç", email = "eren.tunc@fau.de"},
]
maintainers = [
    {name = "Marius FW Trollmann", email = "marius.trollmann@fau.de"},
    {name = "Yusuf Eren Tunç", email = "eren.tunc@fau.de"},
]
readme = "README.md"
requires-python = ">=3.10"
dependencies = [
    "MDAnalysis>=2.0.0",
    "hmmlearn == 0.3.2",
    "networkx >= 3.0.0",
    "numpy >= 1.26.0, <2.0.0",
    "scikit-learn >= 1.4.0",
    "scipy >= 1.13.0"

]
keywords = [
    "molecular simulations",
]
dynamic = [
    "version",
]

[project.optional-dependencies]
test = [
    "pytest>=6.0",
    "pytest-xdist>=2.5",
    "pytest-cov>=3.0",
]
doc = [
    "sphinx",
    "sphinx_rtd_theme",
]

# [project.urls]
# source = "https://github.com/BioMemPhys-FAU/domhmm"
# documentation = "https://domhmm.readthedocs.io"

[tool.pytest.ini_options]
minversion = "6.0"
testpaths = [
    "domhmm/tests",
]

[tool.versioneer]
VCS = "git"
style = "pep440"
versionfile_source = "domhmm/_version.py"
versionfile_build = "domhmm/_version.py"
tag_prefix = ""