pyproject.toml

[build-system]
requires = ["setuptools>=61.0.0", "wheel>=0.37.0", "setuptools_scm>=6.4.0"]
build-backend = "setuptools.build_meta"

[tool.setuptools_scm]
version_scheme = "guess-next-dev"
local_scheme = "dirty-tag"

[project]
name = "workbench"
dynamic = ["version"]
description = "Workbench: A Dashboard and Python API for creating and deploying AWS SageMaker Model Pipelines"
readme = "README.md"
license = {file = "LICENSE"}
requires-python = ">=3.10"
keywords = ["SageMaker", "Machine Learning", "AWS", "Python", "Utilities"]
classifiers = [
    "Development Status :: 4 - Beta",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3.13",
    "Topic :: Scientific/Engineering",
]
authors = [{ name = "SuperCowPowers LLC", email = "support@supercowpowers.com" }]

dependencies = [
    # AWS clients & SDKs
    # boto3/botocore/cryptography floors come from sagemaker-core's
    # transitive requirements (sagemaker → sagemaker-core →
    # boto3>=1.42.2, cryptography>=46.0.0).
    "boto3 >= 1.42.2",
    "botocore >= 1.42.2",
    "awswrangler >= 3.4.0",
    # sagemaker-core 2.13+ builds its main SageMaker client from the default
    # credential chain, ignoring the passed boto3 session (pre-GA shim in
    # sagemaker/core/utils/utils.py, marked "TODO: Remove post-launch").
    # Breaks assumed-role runs: FeatureGroup offline stores get provisioned
    # with the caller's SSO creds and fail on glue:GetDatabase. Cap both
    # until fixed: https://github.com/aws/sagemaker-python-sdk/issues/5986
    # The whole family is pinned (not just sagemaker-core): the sub-packages
    # declare only floors on sagemaker-core, so without caps pip can mix
    # generations (e.g. mlops 1.15 + core 2.12) and break at import time.
    "sagemaker >= 3.6.0, < 3.13",
    "sagemaker-core >= 2.12.0, < 2.13",
    "sagemaker-mlops >= 1.12.0, < 1.13",
    "sagemaker-serve >= 1.12.0, < 1.13",
    "sagemaker-train >= 1.12.0, < 1.13",
    "redis >= 5.0.1",
    "cryptography >= 46.0.0",
    "requests >= 2.26.0",
    # aiobotocore floor — each release pins botocore to a one-minor window,
    # so without this pip backtracks through every historical version hunting
    # for a botocore match. Bump if installs feel slow again.
    "aiobotocore >= 3.7.0",
    # Data / ML
    "pandas >= 2.2.1, < 3.0",
    "scikit-learn >= 1.5.2",
    "xgboost >= 3.0.3",
    "joblib >= 1.3.2",
    # Cheminformatics
    "rdkit >= 2026.3.1",
    "mordredcommunity >= 2.0.6",
    # REPL & config
    "ipython >= 8.37.0",
    "pyreadline3; sys_platform == 'win32'",
    # Terminal markdown rendering for the Bosco agent (tables, bold, lists)
    "rich >= 13.0",
    # Plotting (matplotlib lives here because workbench_shell has a show()
    # command that's useful for showing 2D plots of chemical structures
    "matplotlib >= 3.9.2",
    # Pipeline orchestration (DAG building for pipeline specs)
    "networkx >= 3.2",
    # ML agent (Claude via Bedrock); the [bedrock] extra is just boto3/botocore
    "anthropic[bedrock] >= 0.117.0",
]

[project.optional-dependencies]
misc = [
    "umap-learn >= 0.5.8",
]
ui = [
    "plotly >= 6.5.0",
    "dash >= 4.0.0",
    "dash-bootstrap-components >= 1.6.0",
    "dash_ag_grid >= 33.3.3",
]
# Training-container-only deps (the workbench.training surface). Never installed
# in endpoint containers — being a non-dev extra, these auto-extend the
# endpoint-import-smoke forbidden list, so any leak into workbench.endpoints fails CI.
training = [
    "ray[tune]",
    "optuna",
]
dev = ["pytest", "pytest-sugar", "pytest-xdist", "coverage", "pytest-cov", "flake8", "black", "aws-cdk-lib"]
# Docs toolchain (mkdocs site + mkdocstrings API reference). Kept in sync with .github/workflows/deploy-docs.yml
docs = [
    # Cap mkdocs/material below 2.0/10 — MkDocs 2.0 is a breaking rewrite that Material 10 will require
    "mkdocs >=1.6,<2.0",
    "mkdocs-material >=9.7,<10",
    "mkdocstrings",
    "mkdocstrings-python",
]
all = [
    "workbench[ui]",
    "workbench[dev]",
    "workbench[misc]",
    "workbench[docs]",
]

[project.urls]
Homepage = "https://github.com/SuperCowPowers/workbench"

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

[tool.setuptools.package-data]
"workbench" = [
    "resources/signature_verify_pub.pem",
    "resources/open_source_api.key",
    "model_scripts/**",
    "themes/**",
    "agent/guides/*.md"
]

[tool.setuptools.exclude-package-data]
"workbench" = ["model_scripts/**/generated_*.py"]

[project.scripts]
workbench = "workbench.repl.workbench_shell:launch_shell"
bosco = "workbench.repl.workbench_shell:launch_shell"
cloud_watch = "workbench.scripts.monitor_cloud_watch:main"
workbench_config = "workbench.scripts.show_config:main"
df_store = "workbench.scripts.df_store:main"
glue_launcher = "workbench.scripts.glue_launcher:main"
ml_pipeline_batch = "workbench.scripts.ml_pipeline_batch:main"
ml_pipeline_sqs = "workbench.scripts.ml_pipeline_sqs:main"
ml_pipeline_launcher = "workbench.scripts.ml_pipeline_launcher:main"
ensemble_sim = "workbench.scripts.ensemble_sim:main"
lambda_test = "workbench.scripts.lambda_test:main"
endpoint_test = "workbench.scripts.endpoint_test:main"
training_test = "workbench.scripts.training_test:main"
redis_tunnel = "workbench.scripts.redis_tunnel:main"
bedrock_verify = "workbench.scripts.bedrock_verify:main"

[tool.uv]
# torch arrives transitively via sagemaker-serve (unconstrained); this floor
# stops uv's universal resolver from picking a py313-incompatible old build.
# A constraint bounds the transitive version without declaring torch as our dep.
constraint-dependencies = ["torch >= 2.13"]

[tool.black]
line-length = 120
# Supported Python versions; keeps black from auto-targeting a newer one and
# warning when run under an older interpreter.
target-version = ["py310", "py311", "py312", "py313"]
# Also format the model-script .template files (valid Python; jinja placeholders
# live inside string literals). Default include is (\.pyi?)$.
include = '(\.pyi?|\.template)$'

[tool.pytest.ini_options]
addopts = "-v --cov=workbench --cov-report term-missing"
python_files = "*.py"
python_functions = "test"
norecursedirs = [".tox", ".git", "*.egg-info", "__pycache__", "dist", "build"]
markers = [
    "medium: marks heavier validation tests excluded from quick runs (run with 'tox -e medium')",
    "long: marks tests as long (deselect with '-m \"not long\"')",
    "corner_case: marks corner case tests not run by default (deselect with '-m \"not corner_case\"')"
]

[tool.coverage.run]
relative_files = true

[tool.coverage.report]
exclude_lines = [
    "if __name__ == .__main__.",
    "pragma: no cover",
]