pyproject.toml

[build-system]
requires = [
    "setuptools>=42",
]
build-backend = "setuptools.build_meta"

[project]
name = "pyPept"
version = "1.0.0"
requires-python = ">=3.9"
classifiers = [
        "Intended Audience :: Science/Research",
        "License :: OSI Approved :: MIT License",
        "Operating System :: MacOS :: MacOS X",
        "Operating System :: Microsoft :: Windows",
        "Operating System :: OS Independent",
        "Operating System :: POSIX :: Linux",
        "Programming Language :: Python",
        "Programming Language :: Python :: 3",
        "Programming Language :: Python :: 3 :: Only",
        "Programming Language :: Python :: 3.9",
        "Programming Language :: Python :: 3.10",
        "Programming Language :: Python :: 3.11",
        "Programming Language :: Python :: Implementation :: CPython",
        "Topic :: Scientific/Engineering :: Chemistry",
]
dynamic = [
    "dependencies",
    "description",
    "optional-dependencies",
    "readme",
]

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

[tool.setuptools.package-data]
"pyPept.data" = ["*.txt", "*.rst", "*.json", "*.sdf"]

[tool.setuptools.dynamic]
dependencies = {file = "requirements.txt"}
description = {file = "description.txt"}
readme = {file = "README.md"}

[tool.setuptools.dynamic.optional-dependencies]
dev = {file = "requirements-dev.txt"}

[tool.bumpver]
current_version = "1.0.0"
version_pattern = "MAJOR.MINOR.PATCH"
commit_message  = "Bump version {old_version} -> {new_version}"
commit          = true
tag             = true
push            = true

[tool.bumpver.file_patterns]
"pyproject.toml" = ['current_version = "{version}"', 'version = "{version}"']

[project.scripts]
run_pyPept = "pyPept.interfaces.run_pyPept:main"