Suppress warning and fix docs warnings for 0.50.0rc2 (#390)

* Add nglview import with ModuleNotFoundError handling

Add optional import for nglview with error handling.

* Add version check for warning on import

* extras

* replace magic number

* rm autodoc-typehints

* capitalize docs

* lc again

Author: loriab

docs/changelog.rst

@@ -19,28 +19,37 @@ Changelog
 .. Misc.
 .. +++++
 
-0.50.0rc2 / 2026-XX-XX (Unreleased)
-----------------------------------------------------------------------------
+.. _`sec:cl0500rc2`:
 
-`Docs <https://MolSSI.github.io/QCElemental/next/>`_
-`Docs for QCSchema v1<https://MolSSI.github.io/QCElemental/v0.30.2/>`_
+0.50.0rc2 / 2026-02-17
+----------------------
 
-Breaking Changes
-++++++++++++++++
+:docs:`v0.50.0rc2` for current. :docs:`v0.30.2` for QCSchema v1.
 
 Breaking Changes (low impact)
 +++++++++++++++++++++++++++++
-- (:pr:`382`) Remove CPU (`ProcessorInfo` and `ProcessorContext`) and DFT info (`DFTFunctionalInfo` and `DFTFunctionalContext`) classes and functionality
-- (:pr:`388`) Molecule: Fix imports, typing, `@property` logic, printing of float multiplicity, and returning `type(self)` to handle derived classes
-- (:pr:`389`) Remove the QCElemental pydantic autodoc module (`util.autodocs` module, classes `AutoPydanticDocGenerator` and `AutodocBaseSettings`)
-
-New Features
-++++++++++++
-
+- (:pr:`382`, :pr:`383`) Remove CPU (`ProcessorInfo` and `ProcessorContext`) and DFT info
+  (`DFTFunctionalInfo` and `DFTFunctionalContext`) classes and functionality
+- (:pr:`389`) Remove the QCElemental pydantic autodoc module (`util.autodocs` module, classes
+  `AutoPydanticDocGenerator` and `AutodocBaseSettings`)
 
 Enhancements
 ++++++++++++
+- (:pr:`390`) Removed the "Imports will provide non-functional placeholders" FutureWarning for <py314
+- (:pr:`390`) Added `qcelemental.models.QCEL_V1V2_SHIM_CODE` as magic var to signal returning `_v1v2` model.
+- (:pr:`390`)) Removed sphinx-autodoc-typehints
+- (:pr:`388`) Molecule: Fix imports, typing, `@property` logic (exp. `connectivity`, printing of
+  float multiplicity, and returning `type(self)` to handle derived classes
 - (:pr:`385`) Start building docs for QCSchema v2 models.
+  If downstream docs builds are complaining about `dtype` here, add `os.environ["SPHINX_BUILD"] = "1"`
+  to Sphinx conf.py
+  Note that this changes intersphinx links. Below is current (for next2026).
+
+.. code:: python
+
+    "qcelemental": ("https://molssi.github.io/QCElemental/next/", None),
+    "qcengine": ("https://molssi.github.io/QCEngine/next/", None),
+    "qcfractal": ("https://docs.qcarchive.molssi.org/", None),
 
 
 .. _`sec:cl0500rc1`:

docs/conf.py

@@ -58,7 +58,6 @@
     "sphinx_automodapi.automodapi",
     "sphinx_automodapi.automodsumm",
     "sphinx_automodapi.smart_resolver",
-    "sphinx_autodoc_typehints",
     "sphinxcontrib.autodoc_pydantic",
 ]
 
@@ -200,6 +199,7 @@ def setup(app):
 extlinks = {
     "issue": ("https://github.com/MolSSI/QCElemental/issues/%s", "GH#%s"),
     "pr": ("https://github.com/MolSSI/QCElemental/pull/%s", "GH#%s"),
+    "docs": ("https://MolSSI.github.io/QCElemental/%s", "Docs %s"),
 }
 
 
@@ -211,8 +211,8 @@ def setup(app):
     "numpy": ("https://numpy.org/doc/stable/", None),
     "scipy": ("https://docs.scipy.org/doc/scipy/", None),
     "matplotlib": ("https://matplotlib.org/stable/", None),
-    "qcengine": ("https://molssi.github.io/QCEngine/", None),
-    "qcfractal": ("https://molssi.github.io/QCFractal/", None),
+    "qcengine": ("https://molssi.github.io/QCEngine/next", None),
+    "qcfractal": ("https://docs.qcarchive.molssi.org/", None),
     "nglview": ("https://nglviewer.org/nglview/release/v2.7.7", None),
 }
 

docs/model_td.rst

@@ -34,9 +34,6 @@ TorsionDriveSpecification
 .. autopydantic_model:: qcelemental.models.v2.TorsionDriveSpecification
    :noindex:
 
-.. autofunction:: qcelemental.models.v2.TorsionDriveSpecification.convert_v
-   :noindex:
-
 TorsionDriveKeywords
 ~~~~~~~~~~~~~~~~~~~~
 
@@ -49,9 +46,6 @@ TorsionDriveProtocols
 .. autopydantic_model:: qcelemental.models.v2.TorsionDriveProtocols
    :noindex:
 
-.. autofunction:: qcelemental.models.v2.TorsionDriveProtocols.convert_v
-   :noindex:
-
 TorsionDriveProperties
 ~~~~~~~~~~~~~~~~~~~~~~
 

docs/models.rst

@@ -7,7 +7,7 @@ Note that the QCElemental reference implementation here is more up-to-date than
 These models use `Pydantic <https://pydantic-docs.helpmanual.io>`_
 as their base to provide serialization, validation, and manipulation.
 
-.. note:: QCSchema v2 is documented here. `Docs for QCSchema v1<https://MolSSI.github.io/QCElemental/v0.30.2/>`_
+.. note:: QCSchema v2 is documented here. Docs for QCSchema v1 at :docs:`v0.30.2` .
 
 Basics
 ------

pyproject.toml

@@ -37,8 +37,7 @@ dependencies = [
     "numpy; python_version <'3.14'",
     "numpy >=2.3.3; python_version >='3.14'",
     "pint >=0.24",
-    "pydantic >=2.0; python_version <'3.14'",
-    "pydantic >=2.12; python_version >='3.14'",
+    "pydantic >=2.12",
 ]
 
 [project.optional-dependencies]
@@ -75,11 +74,8 @@ docs = [
     "sphinx >=7.0.0",
     "sphinxcontrib-napoleon",
     "sphinx-rtd-theme",
-    "autodoc-pydantic",
+    "autodoc-pydantic >2.0",
     "sphinx-automodapi",
-    "sphinx-autodoc-typehints",
-    "pydantic",
-    "pydantic-settings",
 ]
 
 #[tool.poetry.dependencies]

qcelemental/models/__init__.py

@@ -8,6 +8,8 @@
 
 import sys
 
+QCEL_V1V2_SHIM_CODE = -12
+
 from . import v1, v2
 from .v1 import *
 

qcelemental/models/_v1v2/basemodels.py

@@ -3,7 +3,7 @@ def check_convertible_version(ver: int, error: str):
 
     if ver in [1, 2]:
         return True
-    elif ver == -12:
+    elif ver == QCEL_V1V2_SHIM_CODE:
         return "self"
     else:
         raise ValueError(f"QCSchema {error} version={ver} does not exist for conversion.")

qcelemental/models/v1/__init__.py

@@ -28,7 +28,8 @@
 
 # Warn on import so users see the incompatibility when they explicitly import v1
 # Use FutureWarning (visible by default) so users notice the issue during import
-warnings.warn(_MSG, FutureWarning, stacklevel=2)
+if sys.version_info >= (3, 14):
+    warnings.warn(_MSG, FutureWarning, stacklevel=2)
 
 
 def _make_placeholder(name: str):

qcelemental/models/v2/atomic.py

@@ -5,6 +5,7 @@
 import numpy as np
 from pydantic import Field, field_validator
 
+from ...models import QCEL_V1V2_SHIM_CODE
 from ...util import provenance_stamp
 from .basemodels import ExtendedConfigDict, ProtoModel, check_convertible_version, qcschema_draft
 from .basis_set import BasisSet
@@ -595,12 +596,12 @@ def convert_v(
             return self
 
         dself = self.model_dump()
-        if target_version in [1, -12]:
+        if target_version in [1, QCEL_V1V2_SHIM_CODE]:
             dself["basis"] = self.basis.convert_v(target_version).dict()
 
             if target_version == 1:
                 self_vN = qcel.models.v1.WavefunctionProperties(**dself)
-            elif target_version == -12:
+            elif target_version == QCEL_V1V2_SHIM_CODE:
                 self_vN = qcel.models._v1v2.WavefunctionProperties(**dself)
         else:
             assert False, target_version
@@ -769,7 +770,7 @@ def convert_v(
             return self
 
         dself = self.model_dump()
-        if target_version in [1, -12]:
+        if target_version in [1, QCEL_V1V2_SHIM_CODE]:
             dself.pop("schema_name")
             dself.pop("schema_version")
 
@@ -791,7 +792,7 @@ def convert_v(
 
             if target_version == 1:
                 self_vN = qcel.models.v1.AtomicInput(**dself)
-            elif target_version == -12:
+            elif target_version == QCEL_V1V2_SHIM_CODE:
                 self_vN = qcel.models._v1v2.AtomicInput(**dself)
         else:
             assert False, target_version
@@ -980,7 +981,7 @@ def convert_v(
             return self
 
         dself = self.model_dump()
-        if target_version in [1, -12]:
+        if target_version in [1, QCEL_V1V2_SHIM_CODE]:
 
             # for input_data, work from model, not dict, to use convert_v
             dself.pop("input_data")
@@ -998,7 +999,7 @@ def convert_v(
 
             if target_version == 1:
                 self_vN = qcel.models.v1.AtomicResult(**dself)
-            elif target_version == -12:
+            elif target_version == QCEL_V1V2_SHIM_CODE:
                 self_vN = qcel.models._v1v2.AtomicResult(**dself)
         else:
             assert False, target_version

qcelemental/models/v2/basemodels.py

@@ -289,7 +289,7 @@ def check_convertible_version(ver: int, error: str):
         return True
     elif ver == 2:
         return "self"
-    elif ver == -12:
+    elif ver == QCEL_V1V2_SHIM_CODE:
         # signal to create the emergency _v1v2 objects defined for some models
         return True
     else: