From 4f2af1822b3fa0bf0f196eb37992b530a3c99747 Mon Sep 17 00:00:00 2001
From: Tingzheng Hou <tingzheng_hou@berkeley.edu>
Date: Sun, 4 Feb 2024 10:58:30 +0800
Subject: [PATCH] Initial update pyproject.toml to ruff

---
 pyproject.toml | 87 +++++++++++++++++++++++++++++++++++++++-----------
 1 file changed, 68 insertions(+), 19 deletions(-)

diff --git a/pyproject.toml b/pyproject.toml
index 2ce1ae82..e1480f13 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -5,24 +5,73 @@ requires = [
 ]
 build-backend = "setuptools.build_meta"
 
-[tool.black]
+[tool.ruff]
+target-version = "py39"
 line-length = 120
-target-version = ['py310']
-include = '\.pyi?$'
-exclude = '''
+lint.select = [
+  "B",      # flake8-bugbear
+  "C4",     # flake8-comprehensions
+  "D",      # pydocstyle
+  "E",      # pycodestyle error
+  "EXE",    # flake8-executable
+  "F",      # pyflakes
+  "FA",     # flake8-future-annotations
+  "FBT003", # boolean-positional-value-in-call
+  "FLY",    # flynt
+  "I",      # isort
+  "ICN",    # flake8-import-conventions
+  "ISC",    # flake8-implicit-str-concat
+  "PD",     # pandas-vet
+  "PERF",   # perflint
+  "PIE",    # flake8-pie
+  "PL",     # pylint
+  "PT",     # flake8-pytest-style
+  "PYI",    # flakes8-pyi
+  "Q",      # flake8-quotes
+  "RET",    # flake8-return
+  "RSE",    # flake8-raise
+  "RUF",    # Ruff-specific rules
+  "SIM",    # flake8-simplify
+  "SLOT",   # flake8-slots
+  "TCH",    # flake8-type-checking
+  "TID",    # tidy imports
+  "TID",    # flake8-tidy-imports
+  "UP",     # pyupgrade
+  "W",      # pycodestyle warning
+  "YTT",    # flake8-2020
+]
+lint.ignore = [
+  "B023",    # Function definition does not bind loop variable
+  "B028",    # No explicit stacklevel keyword argument found
+  "B904",    # Within an except clause, raise exceptions with ...
+  "C408",    # unnecessary-collection-call
+  "COM812",  # missing trailing comma
+  "D105",    # Missing docstring in magic method
+  "D205",    # 1 blank line required between summary line and description
+  "D212",    # Multi-line docstring summary should start at the first line
+  "NPY002",  # replace legacy numpy.random with numpy.random.Generator
+  "PD901",   # pandas-df-variable-name
+  "PERF203", # try-except-in-loop
+  "PERF401", # manual-list-comprehension (TODO fix these or wait for autofix)
+  "PLC1901", # can be simplified to ... as empty is falsey
+  "PLR",     # pylint refactor
+  "PLW1514", # open() without explicit encoding argument
+  "PLW2901", # Outer for loop variable overwritten by inner assignment target
+  "PT013",   # pytest-incorrect-pytest-import
+  "PTH",     # prefer pathlib to os.path
+  "PYI024",  # collections-named-tuple (TODO should maybe fix these)
+  "RUF012",  # Disable checks for mutable class args. This is a non-problem.
+  "SIM105",  # Use contextlib.suppress(OSError) instead of try-except-pass
+]
+lint.pydocstyle.convention = "google"
+lint.isort.required-imports = ["from __future__ import annotations"]
+lint.isort.split-on-trailing-comma = false
 
-(
-  /(
-      \.eggs         # exclude a few common directories in the
-    | \.git          # root of the project
-    | \.hg
-    | \.mypy_cache
-    | \.tox
-    | \.venv
-    | _build
-    | buck-out
-    | build
-    | dist
-  )/
-)
-'''
\ No newline at end of file
+[tool.ruff.lint.per-file-ignores]
+"__init__.py" = ["F401"]
+"tests/**" = ["ANN201", "D", "S101"]
+"tasks.py" = ["D"]
+"pymatgen/analysis/*" = ["D"]
+"pymatgen/vis/*" = ["D"]
+"pymatgen/io/*" = ["D"]
+"dev_scripts/*" = ["D"]