[rpms/python-qcelemental] f43: Update to 0.50.1.

[Susi Lehtola <jussilehtola@fedoraproject.org>]

A new commit has been pushed.

Repo   : rpms/python-qcelemental
Branch : f43
Commit : 152e87b4502c32ed23aeeaf8124d079bbc76e545
Author : Susi Lehtola <jussilehtola@fedoraproject.org>
Date   : 2026-05-25T08:09:49+00:00
Stats  : +13/-50 in 5 file(s)
URL    : https://src.fedoraproject.org/rpms/python-qcelemental/c/152e87b4502c32ed23aeeaf8124d079bbc76e545?branch=f43

Log:
Update to 0.50.1.

---
diff --git a/.gitignore b/.gitignore
index 276a24b..9172b7c 100644
--- a/.gitignore
+++ b/.gitignore
@@ -6,3 +6,4 @@
 /python-qcelemental-0.29.0.tar.gz
 /python-qcelemental-0.30.1.tar.gz
 /python-qcelemental-0.50.0rc5.tar.gz
+/python-qcelemental-0.50.1.tar.gz

diff --git a/python-qcelemental-0.50-fix_circular_import.patch b/python-qcelemental-0.50-fix_circular_import.patch
deleted file mode 100644
index 1503911..0000000
--- a/python-qcelemental-0.50-fix_circular_import.patch
+++ /dev/null
@@ -1,35 +0,0 @@
-diff -up QCElemental-0.50.0rc5/qcelemental/periodic_table.py.bak QCElemental-0.50.0rc5/qcelemental/periodic_table.py
---- QCElemental-0.50.0rc5/qcelemental/periodic_table.py.bak	2026-05-18 09:01:47.578369770 +0000
-+++ QCElemental-0.50.0rc5/qcelemental/periodic_table.py	2026-05-18 09:02:01.024639934 +0000
-@@ -40,12 +40,12 @@ class PeriodicTable:
-     """
- 
-     def __init__(self):
--        from . import data
-+        from .data import nist_2011_atomic_weights
- 
-         # Of length number of elements
--        self.Z = data.nist_2011_atomic_weights["Z"]
--        self.E = data.nist_2011_atomic_weights["E"]
--        self.name = data.nist_2011_atomic_weights["name"]
-+        self.Z = nist_2011_atomic_weights["Z"]
-+        self.E = nist_2011_atomic_weights["E"]
-+        self.name = nist_2011_atomic_weights["name"]
- 
-         self._el2z = dict(zip(self.E, self.Z))
-         self._z2el = collections.OrderedDict(zip(self.Z, self.E))
-@@ -53,10 +53,10 @@ class PeriodicTable:
-         self._el2element = dict(zip(self.E, self.name))
- 
-         # Of length number of isotopes
--        self._EE = data.nist_2011_atomic_weights["_EE"]
--        self.EA = data.nist_2011_atomic_weights["EA"]
--        self.A = data.nist_2011_atomic_weights["A"]
--        self.mass = data.nist_2011_atomic_weights["mass"]
-+        self._EE = nist_2011_atomic_weights["_EE"]
-+        self.EA = nist_2011_atomic_weights["EA"]
-+        self.A = nist_2011_atomic_weights["A"]
-+        self.mass = nist_2011_atomic_weights["mass"]
- 
-         self._eliso2mass = dict(zip(self.EA, self.mass))
-         self._eliso2el = dict(zip(self.EA, self._EE))

diff --git a/python-qcelemental-0.50-nogit.patch b/python-qcelemental-0.50-nogit.patch
index 40eae62..ac49b4b 100644
--- a/python-qcelemental-0.50-nogit.patch
+++ b/python-qcelemental-0.50-nogit.patch
@@ -1,17 +1,16 @@
-diff -up QCElemental-0.50.0rc5/pyproject.toml.nogit QCElemental-0.50.0rc5/pyproject.toml
---- QCElemental-0.50.0rc5/pyproject.toml.nogit	2026-05-18 08:40:24.646500884 +0000
-+++ QCElemental-0.50.0rc5/pyproject.toml	2026-05-18 08:42:47.505878203 +0000
-@@ -10,8 +10,7 @@ issues = "https://github.com/MolSSI/QCEl
+diff -up QCElemental-0.50.1/pyproject.toml.nogit QCElemental-0.50.1/pyproject.toml
+--- QCElemental-0.50.1/pyproject.toml.nogit	2026-05-21 07:31:26.000000000 +0000
++++ QCElemental-0.50.1/pyproject.toml	2026-05-25 08:07:20.199975411 +0000
+@@ -10,7 +10,7 @@ issues = "https://github.com/MolSSI/QCEl
  
  [project]
  name = "qcelemental"
--#version = "0.30.0"
 -dynamic = ["version"]
 +version = "@VERSION@"
- requires-python = ">=3.9"
+ requires-python = ">=3.10"
  description = "Core data structures for Quantum Chemistry."
  authors = [
-@@ -117,6 +116,3 @@ packages = ["qcelemental"]
+@@ -106,6 +106,3 @@ packages = ["qcelemental"]
  [tool.setuptools.package-data]
  
  [tool.setuptools_scm]

diff --git a/python-qcelemental.spec b/python-qcelemental.spec
index 24be434..f2f64f7 100644
--- a/python-qcelemental.spec
+++ b/python-qcelemental.spec
@@ -1,11 +1,9 @@
 # Whether to run the tests; disabled till the tests are ported to pydantic v2
 %bcond tests 0
 
-%global rc rc5
-
 Name:           python-qcelemental
-Version:        0.50.0
-Release:        0.2.%{rc}%{?dist}
+Version:        0.50.1
+Release:        1%{?dist}
 Summary:        Periodic table, physical constants, and molecule parsing for quantum chemistry
 # Automatically converted from old format: BSD - review is highly recommended.
 License:        LicenseRef-Callaway-BSD
@@ -15,8 +13,6 @@ BuildArch:      noarch
 
 # Don't try to query git for the version
 Patch0:         python-qcelemental-0.50-nogit.patch
-# Fix circular import
-Patch1:         python-qcelemental-0.50-fix_circular_import.patch
 # Add all packages
 Patch2:         python-qcelemental-0.50-pkgs.patch
 
@@ -63,7 +59,6 @@ Molecule QCSchema.
 %prep
 %setup -q -n QCElemental-%{version}%{?rc}
 %patch -P 0 -p 1 -b .nogit
-%patch -P 1 -p 1 -b .fiximport
 %patch -P 2 -p 1 -b .pkgs
 # Remove bundled egg-info
 rm -rf QCElemental.*-info
@@ -91,6 +86,9 @@ sed -i 's|@VERSION@|%{version}%{?rc}|g' pyproject.toml
 %{python3_sitelib}/qcelemental-%{version}%{?rc}.dist-info
 
 %changelog
+* Mon May 25 2026 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.50.1-1
+- Update to 0.50.1.
+
 * Mon May 18 2026 Susi Lehtola <jussilehtola@fedoraproject.org> - 0.50.0-0.2.rc5
 - Fix various issues in package.
 

diff --git a/sources b/sources
index 24e1ae8..070e3c5 100644
--- a/sources
+++ b/sources
@@ -1 +1 @@
-SHA512 (python-qcelemental-0.50.0rc5.tar.gz) = 80784b332273beba7852254b3fbd4aee1a9d82bffc642cdb4cb6dd7e11fa451ac06ea6637504f2497425e8cf3796fe95b2109061f2297e2d59800950729d75a9
+SHA512 (python-qcelemental-0.50.1.tar.gz) = df36e69566fd7ae4d3d9b1ef27eeddf878485ff97561100c98e1d5ff565bac03a9764bd8c41c46549a290a96c804d0c5f31f4bfeebb8eb797f585f54f9c1c1d8