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From: Susi Lehtola <jussilehtola@fedoraproject.org>
To: git-commits@fedoraproject.org
Subject: [rpms/python-qcelemental] f43: Fix various issues in package.
Date: Thu, 25 Jun 2026 10:29:36 GMT [thread overview]
Message-ID: <178238337663.1.6073820533177791901.rpms-python-qcelemental-73cc55d2c9bf@fedoraproject.org> (raw)
A new commit has been pushed.
Repo : rpms/python-qcelemental
Branch : f43
Commit : 73cc55d2c9bf8a079f29a944c9fa782bba06dbff
Author : Susi Lehtola <jussilehtola@fedoraproject.org>
Date : 2026-05-18T09:11:38+00:00
Stats : +49/-0 in 2 file(s)
URL : https://src.fedoraproject.org/rpms/python-qcelemental/c/73cc55d2c9bf8a079f29a944c9fa782bba06dbff?branch=f43
Log:
Fix various issues in package.
---
diff --git a/python-qcelemental-0.50-fix_circular_import.patch b/python-qcelemental-0.50-fix_circular_import.patch
new file mode 100644
index 0000000..1503911
--- /dev/null
+++ b/python-qcelemental-0.50-fix_circular_import.patch
@@ -0,0 +1,35 @@
+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-pkgs.patch b/python-qcelemental-0.50-pkgs.patch
new file mode 100644
index 0000000..b449d06
--- /dev/null
+++ b/python-qcelemental-0.50-pkgs.patch
@@ -0,0 +1,14 @@
+diff -up QCElemental-0.50.0rc5/pyproject.toml.bak QCElemental-0.50.0rc5/pyproject.toml
+--- QCElemental-0.50.0rc5/pyproject.toml.bak 2026-05-18 09:07:49.332674024 +0000
++++ QCElemental-0.50.0rc5/pyproject.toml 2026-05-18 09:07:55.360201914 +0000
+@@ -110,8 +110,8 @@ init_typed = true
+ warn_required_dynamic_aliases = true
+ warn_untyped_fields = true
+
+-[tool.setuptools]
+-packages = ["qcelemental"]
++[tool.setuptools.packages.find]
++include = ["qcelemental*"]
+
+ [tool.setuptools.package-data]
+
next reply other threads:[~2026-06-25 10:29 UTC|newest]
Thread overview: 2+ messages / expand[flat|nested] mbox.gz Atom feed top
2026-06-25 10:29 Susi Lehtola [this message]
2026-06-25 10:29 [rpms/python-qcelemental] f43: Fix various issues in package Susi Lehtola
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