[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"]

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

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

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