Merge branch 'master' of github.com:materialsproject/pymatgen

Author: Shyue Ping Ong

pymatgen/core/structure.py

@@ -2672,6 +2672,7 @@ def to(self, filename: str = "", fmt: str = "", **kwargs) -> str | None:
             sio = StringIO()
             yaml.dump(self.as_dict(), sio)
             return sio.getvalue()
+        # fleur support implemented in external namespace pkg https://github.com/JuDFTteam/pymatgen-io-fleur
         elif fmt == "fleur-inpgen" or fnmatch(filename, "*.in*"):
             from pymatgen.io.fleur import FleurInput
 
@@ -2754,6 +2755,7 @@ def from_str(
             from pymatgen.io.atat import Mcsqs
 
             struct = Mcsqs.structure_from_str(input_string, **kwargs)
+        # fleur support implemented in external namespace pkg https://github.com/JuDFTteam/pymatgen-io-fleur
         elif fmt == "fleur-inpgen":
             from pymatgen.io.fleur import FleurInput
 

pyproject.toml

@@ -1,7 +1,7 @@
 [build-system]
 requires = [
+  "Cython>=0.29.23,<3",
   # pin NumPy version used in the build
-  "Cython>=0.29.23",
   "oldest-supported-numpy",
   "setuptools>=65.0.0",
 ]
@@ -70,8 +70,8 @@ ignore = [
   "PLR",     # pylint refactor
   "PLW2901", # Outer for loop variable overwritten by inner assignment target
   "PT013",   # pytest-incorrect-pytest-import
-  "SIM105",  # Use contextlib.suppress(OSError) instead of try-except-pass
   "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"]