pyproject.toml

[build-system]
requires = ["setuptools", "versioningit"]
build-backend = "setuptools.build_meta"

[project]
name = "membrane_curvature"
dynamic = ["version"]
license = {file = "LICENSE"}
description = "MDAnalysis tool to calculate membrane curvature from MD simulations."
authors = [
    {name = "Estefania Barreto-Ojeda", email = "estefania@ojeda-e.com"},
]
maintainers = [
    {name = "Estefania Barreto-Ojeda", email = "estefania@ojeda-e.com"},
]
readme = "README.md"
requires-python = ">=3.9"
keywords = [
    "python", "biophysics", "molecular-dynamics",
    "molecular-simulation", "analysis",
    "trajectory-analysis",
]
dependencies = [
    'numpy>=1.21.0',
    'mdanalysis>=2.0.0'
]

classifiers = [
        'Development Status :: 5 - Production/Stable',
        'Environment :: Console',
        'Intended Audience :: Science/Research',
        'License :: OSI Approved :: GNU General Public License v3 (GPLv3)',
        'Operating System :: MacOS :: MacOS X',
        'Operating System :: Microsoft :: Windows',
        'Operating System :: POSIX',
        'Topic :: Scientific/Engineering ',
        'Programming Language :: Python :: 3',
        'Programming Language :: Python :: 3.9',
        'Programming Language :: Python :: 3.10',
        'Programming Language :: Python :: 3.11',
        'Programming Language :: Python :: 3.12'
]

[project.optional-dependencies]
tests = [
    "pytest",
    "pytest-cov",
    "ipython",
    "MDAnalysisTests"
]
docs = [
    "ipython",
    "MDAnalysisTests",
    "mdanalysis-sphinx-theme",
    "nbsphinx",
    "ipywidgets",
    "nglview"
]

[tool.setuptools.packages.find]
include = ["membrane_curvature*"]

[project.urls]
Documentation = "https://membrane-curvature.readthedocs.io/en/latest/"
Changelog = "https://github.com/MDAnalysis/membrane-curvature/blob/main/CHANGELOG.rst"

[tool.versioningit]
default-version = "1+unknown"

[tool.versioningit.vcs]
method = "git"
# the below line expects tags to look like '1.0.2'.
# if prefixing with a v, e.g. 'v1.0.2', change it to ["v*"]
match = ["*"]

[tool.versioningit.format]
distance = "{base_version}+{distance}.{vcs}{rev}"
dirty = "{base_version}+{distance}.{vcs}{rev}.dirty"
distance-dirty = "{base_version}+{distance}.{vcs}{rev}.dirty"

[tool.coverage.run]
omit = [
    # Omit the tests
    "*/tests/*",
]

[tool.coverage.report]
exclude_also = [
    "if TYPE_CHECKING:",
]

[tool.yapf]
COLUMN_LIMIT = 80
INDENT_WIDTH = 4
USE_TABS = false