update pyproject.toml to enable removing setup files and pre-commit h…

…ooks

pyproject.toml

@@ -1,29 +1,134 @@
-[tool.ruff]
-select = ["E", "F"]
-ignore = ["E501"]
+[build-system]
+requires = ["setuptools >= 61.0"]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools]
+packages = ["propulate"]
+
+[project]
+name = "propulate"
+version = "1.1.0"
+authors = [
+  { name="Marie Weiel, Oskar Taubert, Helmholtz AI", email="[email protected]" },
+]
+description = "Massively parallel genetic optimization through asynchronous propagation of populations"
+readme = "README.md"
+requires-python = ">=3.8"
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "License :: TBD",
+    "Development Status :: 1 - Planning",
+]
+dependencies = [
+	"deepdiff",
+	"mpi4py",
+	"numpy",
+    "colorlog",
+    "Gpy",
+]
 
+[project.optional-dependencies]
+dev = [
+    "pre-commit",
+    "black",
+    "ruff",
+    "pytest",
+    "pytest-cov",
+    "sphinx-autoapi",
+    "sphinx-rtd-theme",
+    "sphinxcontrib-napoleon",
+    "sphinxemoji",
+]
+
+[project.urls]
+Homepage = "https://github.com/Helmholtz-AI-Energy/propulate"
+Issues = "https://github.com/Helmholtz-AI-Energy/propulate/issues"
+
+[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 3.8.
+target-version = "py38"
+
+[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 = ["N", "E4", "E7", "E9", "F", "D"]
+ignore = ["D100", "D104", "D404"]
+# Enable import sorting
+extend-select = ["I"]
+
+# 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"
+
+[tool.ruff.lint.pydocstyle]
+convention = "numpy"
+
+[tool.pytest.ini_options]
+testpaths = [
+    "tests",
+]