pyproject.toml

[tool.poetry]
name = "ersilia"
version = "0.1.34"
description = "A hub of AI/ML models for open source drug discovery and global health"
license = "GPLv3"
authors = ["Ersilia Open Source Initiative <hello@ersilia.io>"]
readme = "README.md"
homepage = "https://ersilia.io"
repository = "https://github.com/ersilia-os/ersilia"
documentation = "https://ersilia.io/model-hub"
keywords= ["drug-discovery", "machine-learning", "ersilia", "open-science", "global-health", "model-hub", "infectious-diseases"]
classifiers=[
        "Programming Language :: Python :: 3.7",
        "Programming Language :: Python :: 3.8",
        "Programming Language :: Python :: 3.9",
        "Programming Language :: Python :: 3.10",
        "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
        "Operating System :: OS Independent",
        "Topic :: Scientific/Engineering :: Artificial Intelligence",
]
packages = [
    {include = "ersilia"},
]
include = [
    "ersilia/hub/content/metadata/*.txt",
    "ersilia/io/types/examples/*.tsv",
]

[tool.poetry.dependencies]
python = ">=3.7"
inputimeout = "^1.0.4"
emoji = "^2.8.0"
validators = [
    {version="0.20.0", python="3.7.*"},
    {version="~0.21.0", python=">=3.8"},
]

psutil = ">=5.9.0"
h5py = "^3.7.0" # For compatibility with isaura
loguru = "^0.6.0" # For compatibility with isaura
PyYAML = "^6.0.1"
dockerfile-parse = "^2.0.1"
tqdm = "^4.66.1"
click = "^8.1.7"
docker = "^6.1.3"
isaura = {version="0.1", optional=true}
pytest = {version = "^7.4.0", optional = true}
fuzzywuzzy = {version = "^0.18.0", optional = true}
sphinx = {version = ">=5.3.0", optional = true} # For compatibility with python 3.7.x
jinja2 = {version = "^3.1.2", optional = true}
boto3 = "^1.28.40"
requests = "<=2.31.0"
numpy = "<=1.26.4"


[tool.poetry.extras]
# Instead of using poetry dependency groups, we use extras to make it pip installable
lake = ["isaura"]
docs = ["sphinx", "jinja2"]
test = ["pytest", "fuzzywuzzy"]
#all = [lake, docs, test]

[tool.poetry.scripts]
ersilia = "ersilia.cli:cli"
bentoml = "ersilia.setup.requirements:check_bentoml"

[build-system]
requires = ["poetry-core"]
build-backend = "poetry.core.masonry.api"