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pyproject.toml
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pyproject.toml
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# see documentation, e.g.
# - https://packaging.python.org/en/latest/specifications/declaring-project-metadata/#declaring-project-metadata
# - https://setuptools.pypa.io/en/latest/userguide/pyproject_config.html
# - https://www.python.org/dev/peps/pep-0621/
[build-system]
requires = ["setuptools>=64.0.0", "setuptools-scm", "wheel"]
build-backend = "setuptools.build_meta"
[project]
authors = [
{ name = "Rahul Brahma", email = "rahul@drugonix.com" }
]
classifiers = [
"Development Status :: 2 - Pre-Alpha",
"Intended Audience :: Developers",
"License :: Other/Proprietary License",
"Natural Language :: English",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
]
dependencies = []
description = "Prediting the bioactivity of a moelcules for GPCRs."
keywords = [
"gpcr, ai prediction, binding affinity, bioactivity",
"keyword2",
]
license = {file = "LICENSE"}
name = "aigpro"
readme = {file = "README.md", content-type = "text/markdown"}
requires-python = ">=3.10"
version = "0.0.1"
[project.optional-dependencies]
dev = [
"build", # build is not only used in publishing (below), but also in the template's test suite
"bump2version",
"coverage [toml]",
"pytest",
"pytest-cov",
"ruff",
"sphinx",
"sphinx_rtd_theme",
"sphinx-autoapi",
"tox",
"myst_parser",
]
publishing = [
"build",
"twine",
"wheel",
]
[project.urls]
Repository = "https://github.com/takshan/aigpro"
Issues = "https://github.com/takshan/aigpro/issues"
Changelog = "https://github.com/takshan/aigpro/CHANGELOG.md"
[tool.pytest.ini_options]
testpaths = ["tests"]
[tool.coverage.run]
branch = true
source = ["aigpro"]
command_line = "-m pytest"
[tool.isort]
lines_after_imports = 2
force_single_line = 1
no_lines_before = ["FUTURE", "STDLIB", "THIRDPARTY", "FIRSTPARTY", "LOCALFOLDER"]
known_first_party = "aigpro"
src_paths = ["aigpro", "tests"]
line_length = 120
# For completeness, until we move to an src-based layout
[tool.setuptools.packages.find]
include = ["aigpro*"]
exclude = ["tests*"]
[tool.tox]
legacy_tox_ini = """
[tox]
envlist = py38,py39,py310,py311,py312
skip_missing_interpreters = true
[testenv]
commands = pytest
extras = dev
"""
[tool.ruff]
# Enable Pyflakes `E` and `F` codes by default.
select = [
"F", # Pyflakes
"E", # pycodestyle (error)
"W", # pycodestyle (warning)
# "C90", # mccabe
"I", # isort
"D", # pydocstyle
# "PL", # Pylint
# "PLC", # Convention
# "PLE", # Error
# "PLR", # Refactor
# "PLW", # Warning
]
ignore = [
'D100', # Missing module docstring
'D104', # Missing public package docstring
# The following list excludes rules irrelevant to the Google style
'D203',
'D204',
'D213',
'D215',
'D400',
'D401',
'D404',
'D406',
'D407',
'D408',
'D409',
'D413',
]
# Allow autofix for all enabled rules (when `--fix`) is provided.
fixable = ["A", "B", "C", "D", "E", "F", "I"]
unfixable = []
exclude = [
".bzr",
".direnv",
".eggs",
".git",
".hg",
".mypy_cache",
".nox",
".pants.d",
".ruff_cache",
".svn",
".tox",
".venv",
"__pypackages__",
"_build",
"buck-out",
"build",
"dist",
"node_modules",
"venv",
".venv",
"scripts",
]
per-file-ignores = {}
# Allow unused variables when underscore-prefixed.
dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"
target-version = "py39"
line-length = 120
[tool.ruff.isort]
known-first-party = ["aigpro"]
force-single-line = true
no-lines-before = ["future","standard-library","third-party","first-party","local-folder"]