fix circular import in docs (#286)

* fix circular docs import

* lint

* pytest restriction hurting env solution

* restrict multi-CI runs on branches on upstream

* proper py310

* update pip protocol

* finalize

Author: loriab

.github/workflows/CI.yml

@@ -1,6 +1,10 @@
 name: CI
 
-on: [push, pull_request]
+on:
+  push:
+    branches:
+      - master
+  pull_request:
 
 jobs:
   build:
@@ -16,7 +20,7 @@ jobs:
             python-version: 3.6
             label: minpy
           - conda-env: base-cf
-            python-version: 3.9
+            python-version: "3.10"
             label: full
     env:
       PYVER: ${{ matrix.cfg.python-version }}

.github/workflows/Lint.yml

@@ -1,6 +1,10 @@
 name: Format
 
-on: [push, pull_request]
+on:
+  push:
+    branches:
+      - master
+  pull_request:
 
 jobs:
   build:

README.md

@@ -17,6 +17,10 @@ srd121, respectively ([details](raw_data/README.md)) in a renewable manner
 This project also contains a generator, validator, and translator for [Molecule
 QCSchema](https://molssi-qc-schema.readthedocs.io/en/latest/auto_topology.html).
 
+It is intended to keep the QCElemental code compatible with Python 3.6+
+as long as dependencies allow. Packages are assured for Python 3.8+.
+
+
 ### Periodic Table
 
 A variety of periodic table quantities are available using virtually any alias:

devtools/conda-envs/base-cf.yaml

@@ -15,7 +15,7 @@ dependencies:
   - nglview
 
     # Testing
-  - pytest>=4.0.0
+  - pytest
   - pytest-cov
   - codecov
   - scipy  # tests an aspect of a helper fn not used by qcel functionality

devtools/conda-envs/base.yaml

@@ -17,7 +17,7 @@ dependencies:
   - nglview
 
     # Testing
-  - pytest>=4.0.0
+  - pytest
   - pytest-cov
   - codecov
   - scipy  # tests an aspect of a helper fn not used by qcel functionality

devtools/conda-envs/docs-cf.yaml

@@ -20,9 +20,9 @@ dependencies:
   - sphinx_rtd_theme
 
     # testing
-  - pytest>=4.0.0
+  - pytest
   - pytest-cov
   - codecov
 
   - pip:
-     - git+git://github.com/MolSSI/qcarchive-sphinx-theme#egg=qcarchive_sphinx_theme
+     - git+https://github.com/MolSSI/qcarchive-sphinx-theme#egg=qcarchive_sphinx_theme

docs/requirements.yml

@@ -15,4 +15,4 @@ dependencies:
     - graphviz
 
     - pip:
-      - git+git://github.com/MolSSI/qcarchive-sphinx-theme#egg=qcarchive_sphinx_theme
+      - git+https://github.com/MolSSI/qcarchive-sphinx-theme#egg=qcarchive_sphinx_theme

docs/source/changelog.rst

@@ -1,7 +1,7 @@
 Changelog
 =========
 
-.. X.Y.0 / 2021-MM-DD
+.. X.Y.0 / 2022-MM-DD
 .. -------------------
 ..
 .. Breaking Changes
@@ -16,6 +16,25 @@ Changelog
 .. Bug Fixes
 .. +++++++++
 
+
+0.25.0 / 2022-MM-DD
+-------------------
+
+Breaking Changes
+++++++++++++++++
+
+New Features
+++++++++++++
+
+Enhancements
+++++++++++++
+
+Bug Fixes
++++++++++
+- (:pr:`286`) Sphinx autodocumentation with typing of ``qcelemental.testing.compare_recursive`` no longer
+  warns about circular import.
+
+
 0.24.0 / 2021-11-18
 -------------------
 

qcelemental/models/basemodels.py

@@ -5,7 +5,6 @@
 import numpy as np
 from pydantic import BaseModel, BaseSettings
 
-from qcelemental.testing import compare_recursive
 from qcelemental.util import deserialize, serialize
 from qcelemental.util.autodocs import AutoPydanticDocGenerator
 
@@ -186,6 +185,8 @@ def compare(self, other: Union["ProtoModel", BaseModel], **kwargs) -> bool:
         bool
             True if the objects match.
         """
+        from ..testing import compare_recursive
+
         return compare_recursive(self, other, **kwargs)
 
 

qcelemental/models/procedures.py

@@ -1,7 +1,7 @@
 from enum import Enum
 from typing import TYPE_CHECKING, Any, Dict, List, Optional, Tuple
 
-from pydantic import Field, constr, validator, conlist
+from pydantic import Field, conlist, constr, validator
 
 from ..util import provenance_stamp
 from .basemodels import ProtoModel