v0.30.1 nglview and setuptools 82 (#384)

* Update nglview version constraint in pyproject.toml

Restrict nglview version to be less than 5.0.

* Update nglview dependency to version 4.0

* Modify version constraints for nglview and setuptools

Updated nglview version constraints and setuptools compatibility.

* Fix setuptools version syntax in pyproject.toml

* Update changelog for version 0.30.1

Added changelog entry for version 0.30.1 with bug fix details.

* Update version and release date in CITATION.cff

* Bump version from 0.30.0 to 0.30.1

Author: loriab

CITATION.cff

@@ -46,5 +46,5 @@ keywords:
   - physical-constant
   - schema
 license: BSD-3-Clause
-version: 0.30.0
-date-released: '2026-01-07'
+version: 0.30.1
+date-released: '2026-02-10'

docs/changelog.rst

@@ -20,6 +20,15 @@ Changelog
 .. +++++
 
 
+0.30.1 / 2026-02-10
+-------------------
+
+Bug Fixes
++++++++++
+- (:pr:`384`) Update nglview optional dep to accommodate setuptools 82.0 w/o pkg_resources.
+  Either use the new version of nglview or an older version of both nglview and setuptools.
+
+
 0.30.0 / 2026-01-07
 -------------------
 

pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "poetry.core.masonry.api"
 
 [tool.poetry]
 name = "qcelemental"
-version = "0.30.0"
+version = "0.30.1"
 description = "Core data structures for Quantum Chemistry."
 authors = ["The QCArchive Development Team <qcarchive@molssi.org>"]
 license = "BSD-3-Clause"
@@ -45,7 +45,10 @@ pint = [
     { version = ">=0.24", python = ">=3.10,<3.14" },
 ]
 pydantic = ">=1.8.2"
-nglview = { version = "^3.0.3", optional = true }
+nglview = [
+    { version = "^3.0.3", python = "<3.10", optional = true },
+    { version = "^4.0", python = ">=3.10", optional = true },
+]
 ipykernel = { version = "<6.0.0", optional = true }
 importlib-metadata = { version = ">=4.8", python = "<3.8" }
 networkx = { version = "<3.0", optional = true }
@@ -55,7 +58,7 @@ scipy = [
 ]
 pytest = { version = "^7.2.2", optional = true }
 # setuptools is needed temporarily to avoid pkg_resources error with ngl_view. remove from here after next nglview release beyond v1.3.4
-setuptools = ">=68.0.0"
+setuptools = { version = ">=68.0.0,<82.0.0", python = "<3.10" }
 
 [tool.poetry.extras]
 viz = ["nglview", "ipykernel"]