pyproject.toml

[tool.poetry]
name = "molharbor"
version = "0.1.2"
description = " unofficial python wrapper for MolPort API"
authors = ["Anton Siomchen <41703271+asiomchen@users.noreply.github.com>"]
homepage = "https://github.com/asiomchen/molharbor"
repository = "https://github.com/asiomchen/molharbor"
license = "Apache-2.0"
readme = "README.md"
keywords = ["chemistry", "molport", "vhts"]  # Optional

# Classifiers help users find your project by categorizing it.
#
# For a list of valid classifiers, see https://pypi.org/classifiers/
classifiers = [  # Optional
  # How mature is this project? Common values are
  #   3 - Alpha
  #   4 - Beta
  #   5 - Production/Stable
  "Development Status :: 3 - Alpha",
  "Intended Audience :: Science/Research",
  "License :: OSI Approved :: Apache Software License",
  "Topic :: Scientific/Engineering",
  "Topic :: Utilities",

  # Specify the Python versions you support here. In particular, ensure
  # that you indicate you support Python 3. These classifiers are *not*
  # checked by "pip install". See instead "python_requires" below.
  "Programming Language :: Python :: 3.9",
  "Programming Language :: Python :: 3.10",
  "Programming Language :: Python :: 3.11",
  "Programming Language :: Python :: 3.12",
  "Programming Language :: Python :: 3 :: Only",
]

# This field lists other packages that your project depends on to run.
# Any package you put here will be installed by pip when your project is
# installed, so they must be valid existing projects.
#
# For an analysis of this field vs pip's requirements files see:
# https://packaging.python.org/discussions/install-requires-vs-requirements/
[tool.poetry.dependencies]
python = "^3.9"
pandas = "^2.2.2"
pydantic = "^2.7.1"
requests = "^2.31.0"
numpy = "^1.26.4"
httpx = "^0.27.0"
tqdm = "^4.66.4"

[tool.poetry.group.dev.dependencies]
pytest = "<8"
pytest-cov = "^5.0.0"
ruff = "^0.4.4"
pre-commit = "^3.7.1"
ipykernel = "^6.29.4"
pytest-lazy-fixture = "^0.6.3"

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

[tool.ruff]
# Exclude a variety of commonly ignored directories.
exclude = [
    ".bzr",
    ".direnv",
    ".eggs",
    ".git",
    ".git-rewrite",
    ".hg",
    ".ipynb_checkpoints",
    ".mypy_cache",
    ".nox",
    ".pants.d",
    ".pyenv",
    ".pytest_cache",
    ".pytype",
    ".ruff_cache",
    ".svn",
    ".tox",
    ".venv",
    ".vscode",
    "__pypackages__",
    "_build",
    "buck-out",
    "build",
    "dist",
    "node_modules",
    "site-packages",
    "venv",
]

# Same as Black.
line-length = 88
indent-width = 4

# Assume Python 3.9
target-version = "py39"

[tool.ruff.lint]
# Enable Pyflakes (`F`) and a subset of the pycodestyle (`E`)  codes by default.
# Unlike Flake8, Ruff doesn't enable pycodestyle warnings (`W`) or
# McCabe complexity (`C901`) by default.
select = ["E4", "E7", "E9", "F"]
ignore = []

# Allow fix for all enabled rules (when `--fix`) is provided.
fixable = ["ALL"]
unfixable = []

# Allow unused variables when underscore-prefixed.
dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"

[tool.ruff.format]
# Like Black, use double quotes for strings.
quote-style = "double"

# Like Black, indent with spaces, rather than tabs.
indent-style = "space"

# Like Black, respect magic trailing commas.
skip-magic-trailing-comma = false

# Like Black, automatically detect the appropriate line ending.
line-ending = "auto"

# Enable auto-formatting of code examples in docstrings. Markdown,
# reStructuredText code/literal blocks and doctests are all supported.
#
# This is currently disabled by default, but it is planned for this
# to be opt-out in the future.
docstring-code-format = false

# Set the line length limit used when formatting code snippets in
# docstrings.
#
# This only has an effect when the `docstring-code-format` setting is
# enabled.
docstring-code-line-length = "dynamic"