[workspace]
authors = ["hotwa <pylyzeng@gmail.com>"]
channels = ["conda-forge"]
name = "macro_lactone_toolkit"
platforms = ["osx-arm64", "linux-64"]
version = "0.1.0"

[tasks]
test = "pytest"
lint = "python -m compileall src"
smoke-import = "python -c \"import macro_lactone_toolkit\""
macro-lactone-toolkit = "python -m macro_lactone_toolkit.cli"

[dependencies]
python = "3.12.*"
pip = ">=24,<26"
pytest = ">=8.3,<9"
rdkit = ">=2025.9.1,<2026"
pandas = ">=2.3.3,<3"
numpy = ">=2.3.4,<3"
matplotlib = ">=3.10,<4"
sqlmodel = ">=0.0.37,<0.0.38"

[pypi-dependencies]
macro_lactone_toolkit = { path = ".", editable = true }