tomat/pyproject.toml at main · Open-Athena/tomat · GitHub

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[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"

[project]
name = "tomat"
version = "0.1.0"
description = "Tokenized Materials: LLM analogue of electrAI — predict DFT electron density for periodic crystals via a sequence model."
requires-python = ">=3.11,<3.13"
dependencies = [
    "click",
    "dvx",
    "matplotlib",
    "numpy",
    "pyarrow>=15",
    "pymatgen",
    "zarr>=3.0",
]

# The marin stack isn't on PyPI — marin-experiments/{tiny-stories,speech-asr}
# pulls it in via `find-links` pointing at GitHub Releases' "expanded_assets"
# wheel index pages. When we need training here (spec 05), uncomment the
# blocks below; they mirror marin-experiments/tiny-stories/pyproject.toml.
# Until then Levanter/Marin/Iris are not installed, and the training scripts
# in experiments/ import-error by design.

[dependency-groups]
dev = [
    "mdcmd",
    "modal>=1.4.2",
    "pytest",
    "pytest-xdist",
]

[tool.uv]
fork-strategy = "fewest"

# Marin / Levanter / Iris install (deferred — uncomment to enable training).
# Mirrors marin-experiments/tiny-stories/pyproject.toml. When enabling:
#   1. Add the marin packages back to [project].dependencies:
#        "marin", "marin-levanter", "marin-iris", "marin-zephyr", "marin-rigging"
#   2. Uncomment `prerelease = "allow"` above.
#   3. Uncomment the `override-dependencies`, `find-links`, index, and
#      sources blocks below.
#
# prerelease = "allow"
#
# override-dependencies = [
#     "omegaconf>=2.4.0.dev4",
#     "antlr4-python3-runtime==4.11",
#     "python-multipart>=0.0.22",
#     "wheel>=0.46.2",
#     "datasets>=3.1.0,<4.0.0",
#     "equinox>=0.11.10",
# ]
#
# find-links = [
#     "https://github.com/marin-community/marin/releases/expanded_assets/marin-latest",
#     "https://github.com/marin-community/marin/releases/expanded_assets/marin-haliax-latest",
#     "https://github.com/marin-community/marin/releases/expanded_assets/marin-levanter-latest",
#     "https://github.com/marin-community/marin/releases/expanded_assets/marin-iris-latest",
#     "https://github.com/marin-community/marin/releases/expanded_assets/marin-zephyr-latest",
#     "https://github.com/marin-community/marin/releases/expanded_assets/marin-rigging-latest",
#     "https://github.com/marin-community/marin/releases/expanded_assets/marin-fray-latest",
#     "https://github.com/marin-community/marin/releases/expanded_assets/dupekit-0.1.0-40ac799",
#     "https://github.com/marin-community/kitoken/releases/expanded_assets/kitoken-0.10.2-a3012f4",
# ]
#
# [[tool.uv.index]]
# name = "marin-resiliparse"
# url = "https://marin-community.github.io/chatnoir-resiliparse/simple"
#
# [tool.uv.sources]
# resiliparse = { index = "marin-resiliparse" }

[tool.hatch.metadata]
allow-direct-references = true

[tool.hatch.build.targets.wheel]
packages = ["src/tomat"]

[tool.pytest.ini_options]
testpaths = ["tests"]