Olamide Isreal
f971fd0e21
- Nextflow pipeline using chai1 Docker image from Harbor - S3-based input/output paths (s3://omic/eureka/chai-lab/) - GPU-accelerated protein folding with MSA support Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
74 lines
1.5 KiB
TOML
Executable File
74 lines
1.5 KiB
TOML
Executable File
# important: install in editable mode
|
|
[build-system]
|
|
requires = [
|
|
"hatchling>=1.20", # build backend
|
|
"hatch-requirements-txt", # plugin, to parse requirements.txt
|
|
]
|
|
build-backend = "hatchling.build"
|
|
|
|
|
|
[project]
|
|
name = "chai_lab"
|
|
description = "Chai Discovery tools for AI + protein research."
|
|
requires-python = ">=3.10"
|
|
authors = [{ name = "Chai Discovery" }]
|
|
# see both defined below
|
|
dynamic = ["version", "dependencies"]
|
|
|
|
[tool.hatch.version]
|
|
path = "chai_lab/__init__.py"
|
|
[tool.hatch.metadata.hooks.requirements_txt]
|
|
files = ["requirements.in"]
|
|
[tool.hatch.metadata]
|
|
allow-direct-references = true
|
|
|
|
[tool.mypy]
|
|
check_untyped_defs = true
|
|
|
|
# Ignore missing imports for packages with missing type stubs
|
|
[[tool.mypy.overrides]]
|
|
module = [
|
|
"anarci.*",
|
|
"fsspec.*",
|
|
"google.*",
|
|
"joblib.*",
|
|
"needletail.*",
|
|
"numba.*",
|
|
"pyximport.*",
|
|
"rdkit.*",
|
|
"scipy.*",
|
|
"seaborn.*",
|
|
"sh.*",
|
|
"tmtools.*",
|
|
"botocore.*",
|
|
"s3fs.*",
|
|
"biotite.*",
|
|
"DockQ.*",
|
|
"boto3.*",
|
|
"transformers.*",
|
|
"modelcif.*",
|
|
"ihm.*",
|
|
]
|
|
ignore_missing_imports = true
|
|
|
|
[tool.pytest.ini_options]
|
|
cache_dir = "/tmp/.common_pytest_cache"
|
|
|
|
|
|
[tool.hatch.build.targets.sdist]
|
|
exclude = [
|
|
"/.devcontainer",
|
|
"/.github",
|
|
"/.idea",
|
|
"/.vscode",
|
|
"/.pytest_cache",
|
|
"/assets",
|
|
"/downloads",
|
|
"/outputs",
|
|
]
|
|
|
|
[tool.hatch.build.targets.wheel]
|
|
# should use packages from sdist section
|
|
|
|
[project.scripts]
|
|
chai = "chai_lab.main:cli" |