bump ruff to 0.2.0, fix pyproject config, fix PLC2801 (object.__getattribute__ -> getattr), add line ignores for RUF017

Author: janosh

.pre-commit-config.yaml

@@ -8,7 +8,7 @@ ci:
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.1.15
+    rev: v0.2.0
     hooks:
       - id: ruff
         args: [--fix, --unsafe-fixes]

dev_scripts/update_pt_data.py

@@ -1,5 +1,3 @@
-#!/usr/bin/env python
-
 """
 Developer script to convert yaml periodic table to json format.
 Created on Nov 15, 2011.
@@ -217,7 +215,7 @@ def gen_iupac_ordering():
         ([17], range(6, 1, -1)),
     ]  # At -> F
 
-    order = sum((list(product(x, y)) for x, y in order), [])
+    order = sum((list(product(x, y)) for x, y in order), [])  # noqa: RUF017
     iupac_ordering_dict = dict(zip([Element.from_row_and_group(row, group) for group, row in order], range(len(order))))
 
     # first clean periodic table of any IUPAC ordering

pymatgen/alchemy/materials.py

@@ -82,13 +82,12 @@ def redo_next_change(self) -> None:
         """
         if len(self._undone) == 0:
             raise IndexError("No more changes to redo")
-        h, s = self._undone.pop()
-        self.history.append(h)
-        self.final_structure = s
+        hist, struct = self._undone.pop()
+        self.history.append(hist)
+        self.final_structure = struct
 
     def __getattr__(self, name) -> Any:
-        struct = object.__getattribute__(self, "final_structure")
-        return getattr(struct, name)
+        return getattr(self.final_structure, name)
 
     def __len__(self) -> int:
         return len(self.history)

pymatgen/analysis/adsorption.py

@@ -298,7 +298,7 @@ def find_adsorption_sites(
             sites = [site + distance * np.asarray(self.mvec) for site in sites]
 
             ads_sites[key] = sites
-        ads_sites["all"] = sum(ads_sites.values(), [])
+        ads_sites["all"] = sum(ads_sites.values(), [])  # noqa: RUF017
         return ads_sites
 
     def symm_reduce(self, coords_set, threshold=1e-6):

pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py

@@ -397,7 +397,7 @@ def hints(self, hints_info):
             """
             if hints_info["csm"] > self.options["csm_max"]:
                 return []
-            return object.__getattribute__(self, f"{self.hints_type}_hints")(hints_info)
+            return getattr(self, f"{self.hints_type}_hints")(hints_info)
 
         def single_cap_hints(self, hints_info):
             """Return hints for an additional neighbors set, i.e. the voronoi indices that

pymatgen/analysis/chemenv/utils/func_utils.py

@@ -36,7 +36,7 @@ def __init__(self, function, options_dict=None):
         """
         if function not in self.ALLOWED_FUNCTIONS:
             raise ValueError(f"{function=!r} is not allowed in RatioFunction of type {type(self).__name__}")
-        self.eval = object.__getattribute__(self, function)
+        self.eval = getattr(self, function)
         self.function = function
         self.setup_parameters(options_dict=options_dict)
 

pymatgen/core/periodic_table.py

@@ -462,7 +462,7 @@ def ground_state_term_symbol(self):
                 "L": L_symbols.index(term[1]),
                 "J": float(term[2:]),
             }
-            for term in sum(term_symbols, [])
+            for term in sum(term_symbols, [])  # noqa: RUF017
         }
 
         multi = [int(item["multiplicity"]) for terms, item in term_symbol_flat.items()]

pymatgen/core/sites.py

@@ -73,7 +73,7 @@ def __init__(
 
     def __getattr__(self, attr):
         # overriding getattr doesn't play nicely with pickle, so we can't use self._properties
-        props = object.__getattribute__(self, "properties")
+        props = self.__getattribute__("properties")
         if attr in props:
             return props[attr]
         raise AttributeError(f"{attr=} not found on {type(self).__name__}")

pymatgen/io/abinit/inputs.py

@@ -1144,8 +1144,7 @@ def __iter__(self):
         return iter(self._inputs)
 
     def __getattr__(self, name):
-        _inputs = object.__getattribute__(self, "_inputs")
-        m = getattr(_inputs[0], name)
+        m = getattr(self._inputs[0], name)
         if m is None:
             raise AttributeError(
                 f"Cannot find attribute {type(self).__name__}. Tried in {name} and then in BasicAbinitInput object"

pymatgen/io/abinit/pseudos.py

@@ -645,12 +645,10 @@ class AbinitHeader(dict):
 
     def __getattr__(self, name):
         try:
-            # Default behavior
-            return super().__getattribute__(name)
+            return super().__getattribute__(name)  # this is just default behavior
         except AttributeError:
             try:
-                # Try in the dictionary.
-                return self[name]
+                return self[name]  # if above failed, try the dictionary
             except KeyError as exc:
                 raise AttributeError(str(exc))
 

pyproject.toml

@@ -22,7 +22,7 @@ repair-wheel-command = "delocate-wheel --require-archs {delocate_archs} -w {dest
 [tool.ruff]
 target-version = "py39"
 line-length = 120
-select = [
+lint.select = [
   "B",      # flake8-bugbear
   "C4",     # flake8-comprehensions
   "D",      # pydocstyle
@@ -54,8 +54,7 @@ select = [
   "W",      # pycodestyle warning
   "YTT",    # flake8-2020
 ]
-ignore = [
-  "ANN101",  # Missing type annotation for self in method
+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 ...
@@ -78,11 +77,11 @@ ignore = [
   "RUF012",  # Disable checks for mutable class args. This is a non-problem.
   "SIM105",  # Use contextlib.suppress(OSError) instead of try-except-pass
 ]
-pydocstyle.convention = "google"
-isort.required-imports = ["from __future__ import annotations"]
-isort.split-on-trailing-comma = false
+lint.pydocstyle.convention = "google"
+lint.isort.required-imports = ["from __future__ import annotations"]
+lint.isort.split-on-trailing-comma = false
 
-[tool.ruff.per-file-ignores]
+[tool.ruff.lint.per-file-ignores]
 "__init__.py" = ["F401"]
 "tests/**" = ["ANN201", "D", "S101"]
 "tasks.py" = ["D"]