https://github.com/OpenChemistry/avogadrolibs/pull/2059.patch
From ef234b94bcff5e4416e7ae0546c3e8977d3ad3a2 Mon Sep 17 00:00:00 2001
From: Nicolas PARLANT <nicolas.parlant@parhuet.fr>
Date: Tue, 24 Jun 2025 02:23:13 +0200
Subject: [PATCH] Fix ODR violations, move enums into class scope
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avogadrolibs-1.100.0/avogadro/qtplugins/cp2kinput/cp2kinputdialog.cpp:61:6:
error: type ‘Avogadro::QtPlugins::BasisOption’ violates the C++ One Definition Rule [-Werror=odr]
   61 | enum BasisOption
      |      ^
avogadrolibs-1.100.0/work/avogadrolibs-1.100.0/avogadro/qtplugins/cp2kinput/cp2kinputdialog.cpp:40:6:
error: type ‘Avogadro::QtPlugins::CalculateOption’ violates the C++ One Definition Rule [-Werror=odr]
   40 | enum CalculateOption
      |      ^

Signed-off-by: Nicolas PARLANT <nicolas.parlant@parhuet.fr>
---
 .../qtplugins/cp2kinput/cp2kinputdialog.cpp   | 21 -------------------
 .../qtplugins/cp2kinput/cp2kinputdialog.h     | 21 +++++++++++++++++++
 2 files changed, 21 insertions(+), 21 deletions(-)

diff --git a/avogadro/qtplugins/cp2kinput/cp2kinputdialog.cpp b/avogadro/qtplugins/cp2kinput/cp2kinputdialog.cpp
index 5eec8b6d..97f583a3 100644
--- a/avogadro/qtplugins/cp2kinput/cp2kinputdialog.cpp
+++ b/avogadro/qtplugins/cp2kinput/cp2kinputdialog.cpp
@@ -37,16 +37,6 @@ using Avogadro::MoleQueue::JobObject;
 
 namespace Avogadro::QtPlugins {
 
-enum CalculateOption
-{
-  CalculateEnergy = 0,
-  CalculateEnergyAndForces,
-  CalculateMolecularDynamics,
-  CalculateGeometryOptimization,
-
-  CalculateCount
-};
-
 enum FunctionalOption
 {
   FunctionalBLYP = 0,
@@ -58,17 +48,6 @@ enum FunctionalOption
   FunctionalCount
 };
 
-enum BasisOption
-{
-  BasisSZVGTH = 0,
-  BasisDZVGTH,
-  BasisDZVPGTH,
-  BasisTZVPGTH,
-  BasisTZV2PGTH,
-
-  BasisCount
-};
-
 enum MethodOption
 {
   DFT = 0,
diff --git a/avogadro/qtplugins/cp2kinput/cp2kinputdialog.h b/avogadro/qtplugins/cp2kinput/cp2kinputdialog.h
index dc24594f..52be8dcd 100644
--- a/avogadro/qtplugins/cp2kinput/cp2kinputdialog.h
+++ b/avogadro/qtplugins/cp2kinput/cp2kinputdialog.h
@@ -31,6 +31,27 @@ class Cp2kInputDialog : public QDialog
 {
   Q_OBJECT
 
+  enum CalculateOption
+  {
+    CalculateEnergy = 0,
+    CalculateEnergyAndForces,
+    CalculateMolecularDynamics,
+    CalculateGeometryOptimization,
+
+    CalculateCount
+  };
+
+  enum BasisOption
+  {
+    BasisSZVGTH = 0,
+    BasisDZVGTH,
+    BasisDZVPGTH,
+    BasisTZVPGTH,
+    BasisTZV2PGTH,
+
+    BasisCount
+  };
+
 public:
   explicit Cp2kInputDialog(QWidget* parent_ = nullptr,
                            Qt::WindowFlags f = Qt::WindowFlags());
-- 
2.49.0