[rpms/multicharge] rawhide: Increase the test tolerance

[rpms/multicharge] rawhide: Increase the test tolerance

[Susi Lehtola]

A new commit has been pushed.

Repo   : rpms/multicharge
Branch : rawhide
Commit : 6ab28792c4ea986fbf6d77fa45922ae87b470262
Author : Susi Lehtola <jussilehtola@fedoraproject.org>
Date   : 2026-07-29T11:16:57+00:00
Stats  : +21/-1 in 2 file(s)
URL    : https://src.fedoraproject.org/rpms/multicharge/c/6ab28792c4ea986fbf6d77fa45922ae87b470262?branch=rawhide

Log:
Increase the test tolerance

---
diff --git a/multicharge-0.5.0-test-tolerance.patch b/multicharge-0.5.0-test-tolerance.patch
new file mode 100644
index 0000000..807bf2b
--- /dev/null
+++ b/multicharge-0.5.0-test-tolerance.patch
@@ -0,0 +1,15 @@
+--- a/test/unit/test_pbc.f90	2026-07-29 11:13:06.055569298 +0000
++++ b/test/unit/test_pbc.f90	2026-07-29 11:13:22.257698930 +0000
+@@ -30,7 +30,11 @@
+    public :: collect_pbc
+ 
+    real(wp), parameter :: thr = 1000 * epsilon(1.0_wp)
+-   real(wp), parameter :: thr2 = sqrt(epsilon(1.0_wp))
++   ! The finite-difference derivative checks below divide energy differences by
++   ! the step size, which amplifies floating-point noise. sqrt(epsilon) is too
++   ! tight and makes the eeqbc sigma check fail on aarch64 (it is already close
++   ! to the edge on x86_64), so use a looser threshold for these comparisons.
++   real(wp), parameter :: thr2 = 10 * sqrt(epsilon(1.0_wp))
+ 
+ contains
+ 

diff --git a/multicharge.spec b/multicharge.spec
index 7d27962..e9dd858 100644
--- a/multicharge.spec
+++ b/multicharge.spec
@@ -6,6 +6,10 @@ License:        Apache-2.0
 URL:            https://github.com/grimme-lab/multicharge
 Source0:        https://github.com/grimme-lab/multicharge/archive/v%{version}/%{name}-%{version}.tar.gz
 
+# Loosen the finite-difference derivative test tolerance, which is too tight
+# and makes the eeqbc sigma check fail on aarch64.  Reported upstream.
+Patch0:         multicharge-0.5.0-test-tolerance.patch
+
 BuildRequires:  meson
 BuildRequires:  gcc-gfortran
 BuildRequires:  mctc-lib-devel
@@ -24,7 +28,8 @@ Requires:       %{name}%{?_isa} = %{version}-%{release}
 This package contains the development headers for multicharge
 
 %prep
-%autosetup
+%setup -q
+%patch -P 0 -p 1 -b .testtol
 
 %build
 %ifarch %{ix86}