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pyproject.toml
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pyproject.toml
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[tool.poetry]
name = "openad"
version = "0.3.1"
description = "Open Accelerated Discovery Client "
authors = ["Phil Downey <phil.downey1@ibm.com>"]
readme = "README.md"
license = "MIT"
homepage = "https://www.accelerate.science/"
documentation = "https://acceleratedscience.github.io/openad-docs/"
repository = "https://github.com/acceleratedscience/open-ad-toolkit"
keywords= ["deepsearch", "rxn","jupyter","magic commands","accelerated Discovery","science","retrosynthesis"]
classifiers = [
"Operating System :: OS Independent",
'Development Status :: 4 - Beta',
"Intended Audience :: Developers",
"Intended Audience :: Science/Research",
"Typing :: Typed",
"Programming Language :: Python :: 3.10"
]
[project.urls]
[tool.black]
line-length=120
[tool.poetry.dependencies]
python = ">=3.10,<3.12"
blessed = "^1.20.0"
flask = "3.0.0"
flask-bootstrap = "3.3.7.1"
geckodriver-autoinstaller = "0.1.0"
halo = "0.0.31"
ipython = "8.12.0"
ipywidgets = "7.7.5"
npm = "^0.1.1"
nodejs = ">=0.1.1"
numpy = "1.24.2"
pandas = "2.0.0"
pubchempy = "1.0.4"
py3dmol = "^2.0.4"
pyparsing = "3.0.9"
pyjwt = "2.8.0"
rdkit = "2023.3.2"
tqdm = "4.66.1"
mols2grid = "^2.0.0"
deepsearch-toolkit = "^0.35.0"
rxn4chemistry = "^1.11.0"
tabulate = "0.8.9"
tiktoken = ">=0.5.2"
faiss-cpu = "^1.7.4"
#openai = "0.27.10"
coverage = "^7.3.2"
ibm-generative-ai = "^2.3.0"
langchain = "0.2.0"
langchain-community = "0.2.0"
langsmith = "^0.1.60"
langchain-text-splitters = "^0.2.0"
langchain-openai = "^0.1.7"
openai = "^1.30.1"
jupyter = "^1.0.0"
ipykernel = "6.27.1"
pyperclip = ">=1.8.2"
jupyter_client = "8.2.0"
jupyter_core = "5.3.0"
jupyter_server = "2.11.2"
jupyterlab = "3.6.6"
nbclient = "0.7.3"
nbconvert = "7.3.1"
nbformat = "5.8.0"
notebook = "6.5.4"
#ibm-generative-ai = "2.0.0"
#sentence-transformers = "2.2.2"
servicing = "0.0.12"
# servicing = { git = "https://github.com/acceleratedscience/servicing.git", branch = "config_extend" }
skypilot = {version="^0.5.0", extras = ["aws", "kubernetes"] }
tomlkit = "^0.12.4"
[tool.poetry.scripts]
openad = "openad.app.main:cmd_line"
init_magic = "openad.app.init_magic:init_magic"
init_examples = "openad.app.openad_examples:openad_create_examps"
[tool.poetry.group.dev.dependencies]
pyright = "^1.1.331"
black = "^23.9.1"
[tool.poetry.group.test.dependencies]
pytest = "8.1.1"
pytest-cov = "^5.0.0"
pytest-dependency = "^0.6.0"
[tool.poetry.group.typing.dependencies]
mypy = "1.9.0"
[tool.mypy]
files = "tests"
mypy_path = "."
namespace_packages = true
explicit_package_bases = true
show_error_codes = true
strict = true
enable_error_code = [
"ignore-without-code",
"redundant-expr",
"truthy-bool",
]
[tool.pytest.ini_options]
#addopts = "--cov=openad/openad_model_plugin"
testpaths = ["tests"]
filterwarnings = ["ignore::DeprecationWarning"]
[build-system]
requires = ["poetry_core>=1.0.0"]
build-backend = "poetry.core.masonry.api"
[tool.ruff]
fix = true
line-length = 120
src = ["openad/openad_model_plugin"]
target-version = "py310"
show-fixes = true
[tool.ruff.lint]
ignore = [
"E722", # Do not use bare `except`
"F401", # imported but unused
]