neurosnap/pyproject.toml at main · NeurosnapInc/neurosnap · GitHub

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[build-system]
requires = ["setuptools>=59.6.0"]
build-backend = "setuptools.build_meta"

[project]
# changes for these values should be reflected in docs/source/conf.py as well
name = "neurosnap"
version = "2026.05.06"
authors = [
  {name="Keaun Amani"},
]
description = "Neurosnap SDK for bioinformatics, structural biology, and cheminformatics workflows."
license = {file = "LICENSE"}
readme = "README.md"
classifiers = [
  "Programming Language :: Python :: 3",
  "Operating System :: OS Independent",
  "Development Status :: 3 - Alpha",
]
requires-python = ">=3.8"
dependencies = [
  "requests>2",
  "numpy>1.0.0",
  "pandas",
  "rdkit>2023",
  "tqdm",
  "scipy",
  "matplotlib",
  "Pillow",
  "tabulate",
  "requests_toolbelt",
]

[project.optional-dependencies]
dev = [
  "build",
  "pytest",
  "twine",
  "ruff",
  "sphinx==8.1.3",
  "sphinx-rtd-theme==3.0.1",
  "sphinx-autodoc-typehints==2.5.0",
  "pydata-sphinx-theme",
]

clusterprot = [
  "scikit-learn",
  "umap-learn",
  "plotly"
]

kluster = [
  "scikit-learn",
  "umap-learn",
  "plotly"
]

[project.urls]
Homepage = "https://github.com/NeurosnapInc/neurosnap"
Issues = "https://github.com/NeurosnapInc/neurosnap/issues"

[tool.setuptools]
package-dir = {"" = "src"}

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

[tool.setuptools.package-data]
neurosnap = [
  "algos/evoef2_lib/*.prm",
  "algos/evoef2_lib/*.inp",
  "algos/evoef2_lib/*.rtf",
  "algos/evoef2_lib/*.lib",
  "algos/evoef2_lib/*.npz",
  "algos/wolfpsort/data/*.csv",
  "algos/wolfpsort/data/*.json",
  "algos/wolfpsort/motif_libraries/*.json",
]

[tool.ruff]
line-length = 150
indent-width = 2

[tool.pytest.ini_options]
addopts = "-ra"
markers = [
  "slow: may take >10s",
  "integration: crosses module boundaries / uses real IO",
  "mmseqs2: requires ColabFold MMseqs2 API/network access",
]