[build-system]
requires = ["setuptools>=61.0.0"]
build-backend = "setuptools.build_meta"

[project]
name = "alphaprotein_novo"
dynamic = ["version"]
requires-python = ">=3.12"
readme = "README.md"
license = {file = "LICENSE"}
dependencies = [
    "absl-py>=2.3.1",
    "alphafold3 @ git+https://github.com/google-deepmind/alphafold3.git",
    "chex",
    "dm-haiku==0.0.17",
    "dm-tree",
    "etils[epath]",
    "flax",
    "jax==0.10.2",
    "jax[cuda12]==0.10.2; sys_platform != 'darwin'",
    "jax-mps==0.10.9; sys_platform == 'darwin' and platform_machine == 'arm64'",
    "numpy",
    "pydantic>=2.0",
    "rdkit==2026.3.3",
    "scipy",
    "tokamax==0.0.12",
    "tqdm",
    "zstandard",
]

[tool.setuptools.dynamic]
version = {attr = "alphaprotein_novo.version.__version__"}

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

[tool.setuptools.packages.find]
where = ["src"]

[tool.setuptools.package-data]
"alphaprotein_novo" = ["data/*.cif", "data/*.json"]

[tool.uv]
package = true
environments = [
    "sys_platform == 'linux' and platform_machine == 'x86_64'",
    "sys_platform == 'linux' and platform_machine == 'aarch64'",
    "sys_platform == 'darwin' and platform_machine == 'arm64'",
]