Move PyPI version check to module init; add setting to enable this (disabled by default, causes 0.3 s slowdown in tests); correct typo in check

Author: esoteric-ephemera

pymatgen/io/validation/__init__.py

@@ -5,3 +5,10 @@
 """
 
 from pymatgen.io.validation.validation import ValidationDoc  # noqa: F401
+
+from pymatgen.io.validation.settings import IOValidationSettings as _settings
+
+if _settings().CHECK_PYPI_AT_LOAD:
+    # Only check version at module load time, if specified in module settings.
+    from pymatgen.io.validation.check_package_versions import package_version_check
+    package_version_check()

pymatgen/io/validation/check_package_versions.py

@@ -11,7 +11,7 @@ def package_version_check() -> None:
 
     packages = {
         "pymatgen": "Hence, if any pymatgen input sets have been updated, this validator will be outdated.",
-        "pymagen-io-validation": "Hence, if any checks in this package have been updated, the validator you use will be outdated.",
+        "pymatgen-io-validation": "Hence, if any checks in this package have been updated, the validator you use will be outdated.",
     }
 
     for package, context_msg in packages.items():

pymatgen/io/validation/settings.py

@@ -26,6 +26,13 @@ class IOValidationSettings(BaseSettings):
 
     config_file: str = Field(DEFAULT_CONFIG_FILE_PATH, description="File to load alternative defaults from")
 
+    CHECK_PYPI_AT_LOAD : bool = Field(
+        False, description = (
+            "Whether to do a version check when this module is loaded. "
+            "Helps user ensure most recent parameter checks are used."
+        )
+    )
+
     VASP_KPTS_TOLERANCE: float = Field(
         0.9,
         description="Relative tolerance for kpt density to still be a valid task document",

pymatgen/io/validation/validation.py

@@ -61,14 +61,6 @@ class ValidationDoc(EmmetBaseModel):
         description="Last updated date for this document",
         default_factory=datetime.utcnow,
     )
-    check_package_versions: bool = Field(
-        False,
-        description=(
-            "Whether to check if the currently installed versions "
-            "of pymatgen and pymatgen-io-validation are the most "
-            "up to date versions on PyPI."
-        ),
-    )
 
     reasons: list[str] = Field(None, description="List of deprecation tags detailing why this task isn't valid")
 
@@ -91,11 +83,6 @@ def model_post_init(self, context: Any) -> None:
 
         self.valid = len(self.reasons) == 0
 
-        if self.check_package_versions:
-            from check_package_versions import package_version_check
-
-            package_version_check()
-
     class Config:  # noqa
         extra = "allow"