openprotein-python/pyproject.toml at main · OpenProteinAI/openprotein-python · GitHub

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[project]
name = "openprotein-python"
# packages = [{ include = "openprotein" }]
dynamic = ["version"]
# version = "0.8.1"
description = "OpenProtein Python interface."
license = "MIT"
readme = "README.md"
# homepage = "https://docs.openprotein.ai/"
authors = [
  { name = "Mark Gee", email = "markgee@ne47.bio" },
  { name = "Timothy Truong Jr.", email = "ttruong@ne47.bio" },
  { name = "Tristan Bepler", email = "tbepler@ne47.bio" },
]
classifiers = [
  "Development Status :: 4 - Beta",
  "Programming Language :: Python :: 3",
]
dependencies = [
  "requests>=2.32.3,<3",
  "pydantic>=2.5,<3",
  "tqdm>=4.66.5,<5",
  "pandas>=2.2.2,<3",
  "numpy>=1.9,<3",
  "gemmi>=0.6.0,<0.8",
  "tomli>=2.3.0,<3",
]
requires-python = ">=3.10,<3.15"

[dependency-groups]
dev = [
  "pip>=24.2,<25",
  "ipykernel>=6.29.5,<7",
  "pytest>=9,<10",
  "pytest-xdist>=3.6.1,<4",
  "pandas-stubs>=2.1.4.240909,<3",
  "matplotlib>=3.9.2,<4",
  "scipy>=1.14.1,<2",
  "hatchling>=1.26.1",
  "hatch-vcs>=0.5,<1",
  "editables>=0.5,<0.6",
  "seaborn>=0.13.2,<0.14",
  "jupyterlab>=4.4.1,<5",
  "torch>=2.2.0,<3",
]

[tool.pixi.workspace]
channels = ["conda-forge"]
platforms = ["linux-64", "linux-aarch64", "osx-arm64"]
preview = ["pixi-build"]

[tool.pixi.dependencies]
python = ">=3.10,<3.13"

[tool.pixi.feature.dev.tasks]
postinstall = "pip install --no-build-isolation --no-deps --disable-pip-version-check -e ."
jupyterinstall = "python -m ipykernel install --user --name=openprotein-python"
build = """
pixi global install -q --no-progress -e conda-build --expose conda --expose conda-verify --expose conda-build --expose anaconda anaconda-client conda-build conda-verify > /dev/null;
pixi global install -q --no-progress --expose hatch hatch > /dev/null;
hatch build; hatch publish; hatch build -t conda
"""
test = "pytest"

[tool.pixi.environments]
dev = ["dev"]

[tool.hatch.version]
source = "vcs"

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

[tool.hatch.build.targets.sdist]
packages = ["openprotein"]

[tool.hatch.build.targets.wheel]
packages = ["openprotein"]

[tool.pyright]
typeCheckingMode = "basic"

[tool.pytest.ini_options]
python_files = "test_*.py"
python_classes = "Test*"
python_functions = "test_*"
markers = [
  "e2e: End-to-end tests that require API credentials",
  "slow: Slow-running tests",
  "integration: Integration tests",
]
addopts = "-v --strict-markers --tb=short --disable-warnings"
timeout = 1200
testpaths = ["tests"]
log_cli = false
log_cli_level = "INFO"
log_cli_format = "%(asctime)s [%(levelname)8s] %(message)s"
log_cli_date_format = "%Y-%m-%d %H:%M:%S"

[tool.black]
line-length = 88
exclude = '''
(
  /(
      \.eggs         # exclude a few common directories in the
    | \.git          # root of the project
    | \.hg
    | \.mypy_cache
    | \.tox
    | \.venv
    | _build
    | buck-out
    | build
    | dist
  )/
)
'''

[tool.isort]
profile = "black"
skip = [
  ".eggs",
  ".git",
  ".hg",
  ".mypy_cache",
  ".nox",
  ".pants.d",
  ".tox",
  ".venv",
  "_build",
  "buck-out",
  "build",
  "dist",
  "node_modules",
  "venv",
]
skip_gitignore = true

[build-system]
requires = ["hatchling>=1.26.1", "hatch-vcs>=0.5.0", "hatch-conda-build>=0.1.2"]
build-backend = "hatchling.build"