[build-system]
requires = ["setuptools>=68"]
build-backend = "setuptools.build_meta"

[project]
name = "scimesh"
version = "0.1.0"
description = "Local scientific workloads for molecular similarity analysis"
readme = "README.md"
requires-python = ">=3.10"
dependencies = ["rdkit>=2024.3"]

[project.optional-dependencies]
dev = [
    "pytest>=8",
    "mkdocs>=1.6",
    "mkdocs-material>=9.5",
    "mkdocstrings[python]>=1.0",
]

[project.scripts]
scimesh = "scimesh.cli:main"

[project.entry-points."scimesh.workloads"]
"similarity-search@1.0.0" = "scimesh.workloads.search:workload_definition"
"similarity-graph@1.0.0" = "scimesh.workloads.graph:workload_definition"
"descriptor-batch@1.0.0" = "scimesh.workloads.descriptors:workload_definition"
"molwt-filter@1.0.0" = "scimesh.workloads.molwt_filter:workload_definition"

[tool.setuptools.packages.find]
include = ["scimesh*"]
namespaces = false

[tool.pytest.ini_options]
testpaths = ["tests"]

[tool.pyright]
venvPath = "."
venv = ".venv"
pythonVersion = "3.10"
typeCheckingMode = "basic"
exclude = ["SciMesh", "site", "coordinator"]