pyproject.toml

[build-system]

# delete cython/numpy if not needed
requires = ["setuptools>=61", "versioningit~=2.0", "numpy", ]
build-backend = "setuptools.build_meta"


# define project info
[project]
name = "SOURSOP"
dynamic = ["version"]
description = "Simulation analysis package for working with disordered proteins"
authors = [
    {name = "Alex Holehouse", email = "alex.holehouse@wustl.edu"}
]
license = {text = "LGPLv3"}
readme = "README.md"  
requires-python = ">=3.7"

# add in as needed  
dependencies = [      
        "numpy>=1.20.0",
        "scipy>=1.5.0",
        "cython",
        "mdtraj>=1.9.5",
        "pandas>=0.23.0",
        "threadpoolctl>=2.2.0",
        "natsort",
        "matplotlib",
]

[project.optional-dependencies]
test = [
  "pytest>=6.1.2",
]


[tool.setuptools]
zip-safe = false
include-package-data = true 

[tool.setuptools.packages.find]
namespaces = true
where = ["."]
include = ["soursop", "soursop*"]  # Discover all sub-packages inside the main package

[tool.setuptools.package-data]
soursop = [
    "py.typed"
]

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

[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.versioningit.vcs]
# The method key:
method = "git"  # <- The method name
# Parameters to pass to the method:
match = ["*"]
default-tag = "1.0.0"

[tool.versioningit.write]
file = "soursop/_version.py"