43 lines
1.1 KiB
TOML
43 lines
1.1 KiB
TOML
[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"]
|