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* [rpms/IQmol] main: Release 3.2.2
@ 2026-06-26 20:57 Antonio Trande
0 siblings, 0 replies; only message in thread
From: Antonio Trande @ 2026-06-26 20:57 UTC (permalink / raw)
To: git-commits
A new commit has been pushed.
Repo : rpms/IQmol
Branch : main
Commit : c6ef72cd4bb65076a60c59a112644bcb25c21766
Author : Antonio Trande <sagitter@fedoraproject.org>
Date : 2026-06-26T22:57:16+02:00
Stats : +269/-785 in 14 file(s)
URL : https://src.fedoraproject.org/rpms/IQmol/c/c6ef72cd4bb65076a60c59a112644bcb25c21766?branch=main
Log:
Release 3.2.2
---
diff --git a/.gitignore b/.gitignore
index fc60ac6..b04be05 100644
--- a/.gitignore
+++ b/.gitignore
@@ -15,3 +15,4 @@
/IQmol-3.1.4.tar.gz
/IQmol-3.1.5.tar.gz
/IQmol-3.2.0.tar.gz
+/IQmol3-3.2.2.tar.gz
diff --git a/26.patch b/26.patch
deleted file mode 100644
index 5633fdc..0000000
--- a/26.patch
+++ /dev/null
@@ -1,31 +0,0 @@
-From b727f1bcf15ee366e94cb6844c562cdec326513f Mon Sep 17 00:00:00 2001
-From: Susi Lehtola <susi.lehtola@gmail.com>
-Date: Wed, 11 Jun 2025 17:10:19 +0300
-Subject: [PATCH] Fix two typos that crash compile
-
----
- src/Util/FileDialog.C | 4 ++--
- 1 file changed, 2 insertions(+), 2 deletions(-)
-
-diff --git a/src/Util/FileDialog.C b/src/Util/FileDialog.C
-index a856169..de89400 100644
---- a/src/Util/FileDialog.C
-+++ b/src/Util/FileDialog.C
-@@ -48,7 +48,7 @@ QString getSaveFileName(
- }
- #else
- fileName = QFileDialog::getSaveFileName(parent, caption, dir, filter,
-- selectedfilter, options);
-+ selectedFilter, options);
- #endif
- return fileName;
- }
-@@ -103,7 +103,7 @@ QString getOpenFileName(
- }
- #else
- fileName = QFileDialog::getOpenFileName( parent, caption, dir, filter,
-- selectedFilter, options)
-+ selectedFilter, options);
- #endif
-
- return fileName;
diff --git a/27.patch b/27.patch
deleted file mode 100644
index 4659842..0000000
--- a/27.patch
+++ /dev/null
@@ -1,21 +0,0 @@
-From e3cbd8196b8736067372520e97df18e81a6f5890 Mon Sep 17 00:00:00 2001
-From: Michael Wang <41721295+zwang20@users.noreply.github.com>
-Date: Thu, 10 Jul 2025 12:07:27 +1000
-Subject: [PATCH] Update CMakeLists.txt
-
----
- src/CMakeLists.txt | 1 +
- 1 file changed, 1 insertion(+)
-
-diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
-index d64c958..a36ebb5 100644
---- a/src/CMakeLists.txt
-+++ b/src/CMakeLists.txt
-@@ -12,6 +12,7 @@ add_subdirectory(Plot)
- add_subdirectory(Process)
- add_subdirectory(Viewer)
- add_subdirectory(Fortran)
-+add_subdirectory(Amber)
-
- add_dependencies(Process Configurator)
- add_dependencies(Grid Configurator)
diff --git a/IQmol-2.13-boost.patch b/IQmol-2.13-boost.patch
deleted file mode 100644
index 51794fd..0000000
--- a/IQmol-2.13-boost.patch
+++ /dev/null
@@ -1,11 +0,0 @@
-diff -up IQmol-2.13/src/Data/Serialization.h.boost IQmol-2.13/src/Data/Serialization.h
---- IQmol-2.13/src/Data/Serialization.h.boost 2019-05-14 15:38:17.000000000 +0300
-+++ IQmol-2.13/src/Data/Serialization.h 2019-05-15 13:46:23.381365472 +0300
-@@ -40,6 +40,7 @@
- #endif
- #include <exception>
- #include "Matrix.h"
-+#include <cstdio>
-
-
- namespace boost {
diff --git a/IQmol-2.13-fedora.patch b/IQmol-2.13-fedora.patch
deleted file mode 100644
index 6cb4456..0000000
--- a/IQmol-2.13-fedora.patch
+++ /dev/null
@@ -1,243 +0,0 @@
-diff -up IQmol-2.13/src/IQmol.pro.fedora IQmol-2.13/src/IQmol.pro
---- IQmol-2.13/src/IQmol.pro.fedora 2019-05-14 15:38:17.000000000 +0300
-+++ IQmol-2.13/src/IQmol.pro 2019-05-15 18:17:42.436813722 +0300
-@@ -24,11 +24,11 @@ TEMPLATE = subdirs
- # also Main.pri for the final link order for the subdirectory
- # libraries (this is important for resolving symbol dependancies).
-
--!win32: {
--SUBDIRS += OpenMesh \
-- OpenMesh/src/OpenMesh/Core \
-- OpenMesh/src/OpenMesh/Tools \
--}
-+#!win32: {
-+#SUBDIRS += OpenMesh \
-+# OpenMesh/src/OpenMesh/Core \
-+# OpenMesh/src/OpenMesh/Tools \
-+#}
-
- SUBDIRS += \
- QGLViewer \
-diff -up IQmol-2.13/src/linux.pri.fedora IQmol-2.13/src/linux.pri
---- IQmol-2.13/src/linux.pri.fedora 2019-05-14 15:38:17.000000000 +0300
-+++ IQmol-2.13/src/linux.pri 2019-05-15 19:12:38.018080102 +0300
-@@ -4,61 +4,70 @@ CONFIG += DEPLOY
- contains(CONFIG, DEVELOP){
- #message("---- DEVELOP set ----")
-
-- INCLUDEPATH += /usr/local/include
-- LIBS += -L/usr/local/lib
--
-+ CONFIG += release
- # Boost
-- LIBS += -lboost_iostreams -lboost_serialization
-+ LIBS += -lboost_serialization -lboost_iostreams
-+
-+ # MsgBox, QT
-+ LIBS += -lQMsgBox-qt5 -lQGLViewer-qt5 -lGLU -lGL
-
- # OpenBabel
-+ OPENBABEL = $(DEV)/openbabel-2.4.1
- INCLUDEPATH += /usr/include/openbabel-2.0
- LIBS += -lopenbabel
-
-- # SSH2/libssl/crypto
-- LIBS += -lssh2 -lssl -lcrypto
-+ # gl2ps
-+ LIBS += -lgl2ps
-+
-+ # libssl/crypto
-+ LIBS += -lcrypto
-+
-+ # SSH2/gcrypt
-+ LIBS += -lssh2
-+ LIBS += -lgcrypt
-+ LIBS += -lgpg-error
-
- # gfortran
-- LIBS += /usr/lib/gcc/x86_64-linux-gnu/5/libgfortran.a
-- LIBS += /usr/lib/gcc/x86_64-linux-gnu/5/libquadmath.a # required for gfortran 5
-+ LIBS += -lgfortran
-+# LIBS += -lquadmath # required for gfortran 5
-
- # Misc
- LIBS += -lz -ldl
--
-- QMAKE_LFLAGS += '-Wl,-rpath,\'\$$ORIGIN/../lib\''
- }
-
-
- contains(CONFIG, DISTRIB) {
- #message("---- DISTRIB set ----")
-
-- CONFIG += release
--
-- INCLUDEPATH += /usr/local/include
-- LIBS += -L/usr/local/lib
--
-+ CONFIG += release
- # Boost
-- LIBS += /usr/lib/x86_64-linux-gnu/libboost_serialization.a
-- LIBS += /usr/lib/x86_64-linux-gnu/libboost_iostreams.a
--
-+ LIBS += -lboost_serialization -lboost_iostreams
-+
-+ # MsgBox, QT
-+ LIBS += -lQMsgBox-qt5 -lQGLViewer-qt5 -lGLU -lGL
-+
- # OpenBabel
-+ OPENBABEL = $(DEV)/openbabel-2.4.1
- INCLUDEPATH += /usr/include/openbabel-2.0
- LIBS += -lopenbabel
-
-+ # gl2ps
-+ LIBS += -lgl2ps
-+
- # libssl/crypto
-- LIBS += /usr/lib/x86_64-linux-gnu/libcrypto.a /usr/lib/x86_64-linux-gnu/libssl.a
-+ LIBS += -lcrypto
-
- # SSH2/gcrypt
-- LIBS += /usr/lib/x86_64-linux-gnu/libssh2.a
-- LIBS += /usr/lib/x86_64-linux-gnu/libgcrypt.a /usr/lib/x86_64-linux-gnu/libgpg-error.a
-+ LIBS += -lssh2
-+ LIBS += -lgcrypt
-+ LIBS += -lgpg-error
-
- # gfortran
-- LIBS += /usr/lib/gcc/x86_64-linux-gnu/5/libgfortran.a
-- LIBS += /usr/lib/gcc/x86_64-linux-gnu/5/libquadmath.a # required for gfortran 5
-+ LIBS += -lgfortran
-+# LIBS += -lquadmath # required for gfortran 5
-
- # Misc
- LIBS += -lz -ldl
--
-- QMAKE_LFLAGS += '-Wl,-rpath,\'\$$ORIGIN/../lib\''
- }
-
-
-@@ -66,34 +75,32 @@ contains(CONFIG, DEPLOY) {
- #message("---- DEPLOY set ----")
-
- CONFIG += release
--
-- INCLUDEPATH += /usr/local/include
-- LIBS += -L/usr/local/lib
--
- # Boost
-- LIBS += /usr/lib/x86_64-linux-gnu/libboost_serialization.a
-- LIBS += /usr/lib/x86_64-linux-gnu/libboost_iostreams.a
--
-+ LIBS += -lboost_serialization -lboost_iostreams
-+
-+ # MsgBox, QT
-+ LIBS += -lQMsgBox-qt5 -lQGLViewer-qt5 -lGLU -lGL
-+
- # OpenBabel
- OPENBABEL = $(DEV)/openbabel-2.4.1
-- INCLUDEPATH += $${OPENBABEL}/include
-- LIBS += $${OPENBABEL}/build/src/libopenbabel.a
-+ INCLUDEPATH += /usr/include/openbabel-2.0
-+ LIBS += -lopenbabel
-+
-+ # gl2ps
-+ LIBS += -lgl2ps
-
- # libssl/crypto
-- LIBS += /usr/lib/x86_64-linux-gnu/libcrypto.a
-- LIBS += /usr/lib/x86_64-linux-gnu/libssl.a
-+ LIBS += -lcrypto
-
- # SSH2/gcrypt
-- LIBS += /usr/lib/x86_64-linux-gnu/libssh2.a
-- LIBS += /usr/lib/x86_64-linux-gnu/libgcrypt.a
-- LIBS += /usr/lib/x86_64-linux-gnu/libgpg-error.a
-+ LIBS += -lssh2
-+ LIBS += -lgcrypt
-+ LIBS += -lgpg-error
-
- # gfortran
-- LIBS += /usr/lib/gcc/x86_64-linux-gnu/5/libgfortran.a
-- LIBS += /usr/lib/gcc/x86_64-linux-gnu/5/libquadmath.a # required for gfortran 5
-+ LIBS += -lgfortran
-+# LIBS += -lquadmath # required for gfortran 5
-
- # Misc
- LIBS += -lz -ldl
--
-- QMAKE_LFLAGS += '-Wl,-rpath,\'\$$ORIGIN/../lib\''
- }
-diff -up IQmol-2.13/src/Main/Main.pro.fedora IQmol-2.13/src/Main/Main.pro
---- IQmol-2.13/src/Main/Main.pro.fedora 2019-05-14 15:38:17.000000000 +0300
-+++ IQmol-2.13/src/Main/Main.pro 2019-05-15 18:17:42.436813722 +0300
-@@ -23,16 +23,16 @@ LIBS += $$BUILD_DIR/libQui.a \
- $$BUILD_DIR/libQGLViewer.a
-
- # Cannot get the embbed OpenMesh working under windows.
--!win32 {
--LIBS += $$PWD/../OpenMesh/lib/libOpenMeshCore.a \
-- $$PWD/../OpenMesh/lib/libOpenMeshTools.a
--}
-+#!win32 {
-+#LIBS += $$PWD/../OpenMesh/lib/libOpenMeshCore.a \
-+# $$PWD/../OpenMesh/lib/libOpenMeshTools.a
-+#}
-+LIBS += -lOpenMeshCore -lOpenMeshTools
-
- include(../common.pri)
-
- INCLUDEPATH += . ../Util ../Data ../Parser ../Qui ../Layer \
-- ../Configurator ../Network ../Yaml ../Process ../Old ../Viewer \
-- ../OpenMesh/src
-+ ../Configurator ../Network ../Yaml ../Process ../Old ../Viewer
- INCLUDEPATH += $$BUILD_DIR/Qui # Required for the ui_QuiMainWindow.h header
-
- #version.target = version.h
-@@ -40,9 +40,9 @@ INCLUDEPATH += $$BUILD_DIR/Qui # Requi
- #version.depends = FORCE
- #QMAKE_EXTRA_TARGETS += version
-
--symmol.target = $$BUILD_DIR/symmol.o
--symmol.commands = gfortran -c $$PWD/symmol.f90 -o $$BUILD_DIR/symmol.o
--OBJECTS += $$BUILD_DIR/symmol.o
-+symmol.target = symmol.o
-+#symmol.commands = gfortran -c $$PWD/symmol.f90 -o $$BUILD_DIR/symmol.o
-+OBJECTS += symmol.o
- QMAKE_EXTRA_TARGETS += symmol
-
- macx:FORMS += $$PWD/PeriodicTableMac.ui
-diff -up IQmol-2.13/src/Old/Old.pro.fedora IQmol-2.13/src/Old/Old.pro
---- IQmol-2.13/src/Old/Old.pro.fedora 2019-05-14 15:38:17.000000000 +0300
-+++ IQmol-2.13/src/Old/Old.pro 2019-05-15 18:17:42.436813722 +0300
-@@ -7,10 +7,6 @@ INCLUDEPATH += . ../Util ../Data ../Pars
- ../OpenMesh/src ../Grid
- #INCLUDEPATH += $$BUILD_DIR/Qui # Required for the ui_QuiMainWindow.h header
-
--SOURCES += $$PWD/gl2ps.C
--HADERS += $$PWD/gl2ps.h
--
--
- SOURCES += \
- $$PWD/AtomicDensity.C \
- $$PWD/ColorGrid.C \
-diff -up IQmol-2.13/src/Util/Util.pro.fedora IQmol-2.13/src/Util/Util.pro
---- IQmol-2.13/src/Util/Util.pro.fedora 2019-05-14 15:38:17.000000000 +0300
-+++ IQmol-2.13/src/Util/Util.pro 2019-05-15 18:17:42.436813722 +0300
-@@ -48,16 +48,6 @@ FORMS += \
- $$PWD/ColorGradientDialog.ui \
-
-
--
--# QMsgBox
--SOURCES += \
-- $$PWD/QMsgBox.C
--
--HEADERS += \
-- $$PWD/QMsgBox.h
--
--
--
- # QsLog files
- DEFINES += QS_LOG_LINE_NUMBERS
-
diff --git a/IQmol-2.13-openbabel.patch b/IQmol-2.13-openbabel.patch
deleted file mode 100644
index 6a17d11..0000000
--- a/IQmol-2.13-openbabel.patch
+++ /dev/null
@@ -1,66 +0,0 @@
-diff -up IQmol-2.13/src/Main/IQmolApplication.C.openbabel IQmol-2.13/src/Main/IQmolApplication.C
---- IQmol-2.13/src/Main/IQmolApplication.C.openbabel 2019-05-15 13:44:28.228104253 +0300
-+++ IQmol-2.13/src/Main/IQmolApplication.C 2019-05-15 13:45:10.402833674 +0300
-@@ -88,61 +88,7 @@ void IQmolApplication::queueOpenFiles(QS
-
- void IQmolApplication::initOpenBabel()
- {
-- QDir dir(QApplication::applicationDirPath());
-- QString path;
--
--#ifdef Q_OS_MAC
-- // Assumed directory structure: IQmol.app/Contents/MacOS/IQmol
-- dir.cdUp();
-- path = dir.absolutePath();
-- QApplication::addLibraryPath(path + "/Frameworks");
-- QApplication::addLibraryPath(path + "/PlugIns");
--#endif
--
--#ifdef Q_OS_WIN32
-- // Assumed directory structure: IQmol/bin/IQmol
-- dir.cdUp();
-- path = dir.absolutePath();
-- QApplication::addLibraryPath(path + "/lib");
-- QApplication::addLibraryPath(path + "/lib/plugins");
--#endif
--
--#ifdef Q_OS_LINUX
-- // Assumed directory structure: IQmol/IQmol
-- // This is so that when the executable is created it can be
-- // run from the main IQmol directory
-- path = dir.absolutePath();
-- QApplication::addLibraryPath(path + "/lib");
-- QApplication::addLibraryPath(path + "/lib/plugins");
--#endif
--
--
-- // This is not used any more as we ship with a static
-- // version of OpenBabel
-- QString env(qgetenv("BABEL_LIBDIR"));
-- if (env.isEmpty()) {
-- env = path + "/lib/openbabel";
-- qputenv("BABEL_LIBDIR", env.toLatin1());
-- QLOG_INFO() << "Setting BABEL_LIBDIR = " << env;
-- }else {
-- QLOG_INFO() << "BABEL_LIBDIR already set: " << env;
-- }
--
-- env = qgetenv("BABEL_DATADIR");
-- if (env.isEmpty()) {
--#if defined(Q_OS_LINUX)
-- // Overide the above for the deb package installation.
-- env ="/usr/share/iqmol/openbabel";
--#else
-- env = path + "/share/openbabel";
--#endif
-- qputenv("BABEL_DATADIR", env.toLatin1());
-- QLOG_INFO() << "Setting BABEL_DATADIR = " << env;
-- }else {
-- QLOG_INFO() << "BABEL_DATADIR already set: " << env;
-- }
--
--
-+ // Do nothing here; Fedora OpenBabel is already configured
- }
-
-
diff --git a/IQmol-2.15.0-fragdir.patch b/IQmol-2.15.0-fragdir.patch
deleted file mode 100644
index ca795d0..0000000
--- a/IQmol-2.15.0-fragdir.patch
+++ /dev/null
@@ -1,72 +0,0 @@
-diff -up IQmol-2.15.0/src/Util/Preferences.C.fragdir IQmol-2.15.0/src/Util/Preferences.C
---- IQmol-2.15.0/src/Util/Preferences.C.fragdir 2020-08-11 06:30:39.000000000 +0200
-+++ IQmol-2.15.0/src/Util/Preferences.C 2020-08-11 17:53:34.491565430 +0200
-@@ -256,15 +256,7 @@ QString QChemDatabaseFilePath()
- QString databaseFilePath;
-
- if (value.isNull() || value.toString().isEmpty()) {
-- QDir dir;
--#if defined(Q_OS_MAC) || defined(Q_OS_WIN32)
-- dir.setPath(QApplication::applicationDirPath());
-- dir.cdUp();
-- dir.cd("share");
--#else
-- dir.setPath("/usr/share/iqmol");
--#endif
-- databaseFilePath = dir.absolutePath() + "/qchem_option.db";
-+ databaseFilePath = "/usr/share/IQmol/qchem_option.db";
- }else {
- databaseFilePath = value.value<QString>();
- }
-@@ -284,15 +276,7 @@ QString ShaderDirectory()
- QVariant value(Get("ShaderDirectory"));
-
- if (value.isNull()) {
-- QDir dir;
--#if defined(Q_OS_MAC) || defined(Q_OS_WIN32)
-- dir.setPath(QApplication::applicationDirPath());
-- dir.cdUp();
-- dir.cd("share/shaders");
--#else
-- dir.setPath("/usr/share/iqmol/shaders");
--#endif
-- shaderDir = dir.absolutePath();
-+ shaderDir = "/usr/share/IQmol/shaders";
- }else {
- shaderDir = value.value<QString>();
- }
-@@ -380,15 +364,7 @@ QString FragmentDirectory()
- QVariant value(Get("FragmentDirectory"));
-
- if (value.isNull() || value.toString().isEmpty()) {
-- QDir dir;
--#if defined(Q_OS_MAC) || defined(Q_OS_WIN32)
-- dir.setPath(QApplication::applicationDirPath());
-- dir.cdUp();
-- dir.cd("share/fragments");
--#else
-- dir.setPath("/usr/share/iqmol/fragments");
--#endif
-- fragDir = dir.absolutePath();
-+ fragDir = "/usr/share/IQmol/fragments";
- }else {
- fragDir = value.value<QString>();
- }
-@@ -745,7 +721,7 @@ qDebug() << "Server Directory set to" <<
- dir.cdUp();
- dir.cd("share/servers");
- #else
-- dir.setPath("/usr/share/iqmol/servers");
-+ dir.setPath("/usr/share/IQmol/servers");
- #endif
- directory = dir.absolutePath();
- }else {
-@@ -775,7 +751,7 @@ QString DefaultServerFile()
- dir.cdUp();
- dir.cd("share");
- #else
-- dir.setPath("/usr/share/iqmol");
-+ dir.setPath("/usr/share/IQmol");
- #endif
- QFileInfo info(dir,"default_server.cfg");
- filePath = info.absoluteFilePath();
diff --git a/IQmol-3.1.2-builddeps.patch b/IQmol-3.1.2-builddeps.patch
deleted file mode 100644
index 07e08bf..0000000
--- a/IQmol-3.1.2-builddeps.patch
+++ /dev/null
@@ -1,14 +0,0 @@
-diff -up IQmol3-3.1.2/CMakeLists.txt.builddeps IQmol3-3.1.2/CMakeLists.txt
---- IQmol3-3.1.2/CMakeLists.txt.builddeps 2023-02-23 09:24:15.038630292 +0000
-+++ IQmol3-3.1.2/CMakeLists.txt 2023-02-23 10:24:33.986071820 +0000
-@@ -133,9 +133,9 @@ endif (WIN32)
- #)
-
- add_dependencies(Process Configurator)
-+add_dependencies(Grid Configurator)
- add_dependencies(Viewer Process)
-
--
- target_link_libraries (${targetName}
- Main
- Process
diff --git a/IQmol-3.2.0-cmake.patch b/IQmol-3.2.0-cmake.patch
deleted file mode 100644
index 5025262..0000000
--- a/IQmol-3.2.0-cmake.patch
+++ /dev/null
@@ -1,181 +0,0 @@
-diff -up IQmol3-3.2.0/CMakeLists.txt.cmakebuild IQmol3-3.2.0/CMakeLists.txt
---- IQmol3-3.2.0/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/CMakeLists.txt 2025-06-11 14:02:45.544828500 +0000
-@@ -34,31 +34,18 @@ if(ZLIB_FOUND)
- include_directories(${ZLIB_INCLUDE_DIRS})
- endif()
-
-+find_package(PkgConfig REQUIRED)
-+pkg_check_modules(ZSTD REQUIRED libzstd)
-
--find_package(ZSTD REQUIRED)
- find_package(Threads REQUIRED)
- find_package(OpenGL REQUIRED)
- find_package(OpenSSL REQUIRED)
-
--# No CMakeLists.txt for libQGLViewer
--include_directories(modules/libQGLViewer)
--add_subdirectory(modules EXCLUDE_FROM_ALL)
-+find_package(OpenBabel3 REQUIRED)
-+include_directories(OpenBabel3_INCLUDE_DIR)
-
--include_directories(modules/libssh2/include)
--add_subdirectory(modules/libssh2 EXCLUDE_FROM_ALL)
--
--include_directories(modules/openmesh/src)
--add_subdirectory(modules/openmesh EXCLUDE_FROM_ALL)
--set(OPENMESH_LIBRARIES OpenMeshCoreStatic OpenMeshToolsStatic)
--
--include_directories(modules/yaml-cpp/include)
--add_subdirectory(modules/yaml-cpp EXCLUDE_FROM_ALL)
--
--include_directories(modules/openbabel/include)
--include_directories(${CMAKE_CURRENT_BINARY_DIR}/modules/openbabel/include)
--add_subdirectory(modules/openbabel EXCLUDE_FROM_ALL)
--
--add_subdirectory(modules/libarchive EXCLUDE_FROM_ALL)
-+find_package(LibArchive REQUIRED)
-+include_directories(LibArchive_INCLUDE_DIRS)
-
- if (WITH_GROMACS)
- add_compile_definitions(GROMACS)
-@@ -89,7 +76,7 @@ endif(QARCHIVE)
-
- # The following must come after the modules as it picks up the include
- # for the system libssh2.h.
--set(Boost_USE_STATIC_LIBS TRUE)
-+set(Boost_USE_STATIC_LIBS FALSE)
- find_package(Boost COMPONENTS iostreams serialization REQUIRED)
- include_directories(${Boost_INCLUDE_DIRS})
-
-@@ -97,6 +84,10 @@ include_directories(${Boost_INCLUDE_DIRS
- set(CMAKE_AUTOUIC ON)
- set(CMAKE_AUTOMOC ON)
-
-+# We need this to be able to include e.g. "Data/Bank.h" in the sources
-+include_directories(src)
-+# and this to access autogenerated files
-+include_directories(${CMAKE_CURRENT_BINARY_DIR}/src)
- add_subdirectory(src)
-
- enable_testing()
-@@ -143,8 +134,6 @@ if (LINUX)
- src/main.C
- ${IQmol_RESOURCES_RCC}
- )
--
-- target_link_libraries(${targetName} -static-libgcc -static-libstdc++)
- endif (LINUX)
-
-
-@@ -161,10 +150,6 @@ if (WIN32)
- endif (WIN32)
-
-
--# This works on ubuntu, not sure about others
--unset(CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES)
--set(FORTRAN_LIBRARIES libgfortran.a libquadmath.a)
--
- target_link_libraries (${targetName}
- Main
- Process
-@@ -180,10 +165,10 @@ target_link_libraries (${targetName}
- Math
- Plot
- Fort
-- libssh2
-+ ssh2
- yaml-cpp
- openbabel
-- QGLViewer
-+ QGLViewer-qt5
- Qt5::Core
- Qt5::Gui
- Qt5::Xml
-diff -up IQmol3-3.2.0/src/Grid/CMakeLists.txt.cmakebuild IQmol3-3.2.0/src/Grid/CMakeLists.txt
---- IQmol3-3.2.0/src/Grid/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Grid/CMakeLists.txt 2025-06-11 14:02:22.686658433 +0000
-@@ -53,4 +53,6 @@ target_link_libraries(${LIB} PRIVATE
- Qt5::Widgets
- Qt5::Xml
- Qt5::OpenGL
-+ OpenMeshCore
-+ OpenMeshTools
- )
-diff -up IQmol3-3.2.0/src/Math/CMakeLists.txt.cmakebuild IQmol3-3.2.0/src/Math/CMakeLists.txt
---- IQmol3-3.2.0/src/Math/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Math/CMakeLists.txt 2025-06-11 14:02:22.686839770 +0000
-@@ -14,7 +14,7 @@ set( SOURCES
- add_library(${LIB} ${SOURCES})
- target_include_directories(${LIB} PUBLIC "${${LIB}_SOURCE_DIR}")
- target_link_libraries(${LIB} PRIVATE
-- QGLViewer
-+ QGLViewer-qt5
- Qt5::Xml
- Qt5::OpenGL
- )
-diff -up IQmol3-3.2.0/src/Network/CMakeLists.txt.cmakebuild IQmol3-3.2.0/src/Network/CMakeLists.txt
---- IQmol3-3.2.0/src/Network/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Network/CMakeLists.txt 2025-06-11 14:02:22.687011400 +0000
-@@ -39,4 +39,5 @@ target_link_libraries(${LIB} PRIVATE
- Qt5::Widgets
- Qt5::Network
- OpenSSL::SSL
-+ ssh2
- )
-diff -up IQmol3-3.2.0/src/Plot/CMakeLists.txt.cmakebuild IQmol3-3.2.0/src/Plot/CMakeLists.txt
---- IQmol3-3.2.0/src/Plot/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Plot/CMakeLists.txt 2025-06-11 14:02:22.687182599 +0000
-@@ -19,4 +19,6 @@ target_link_libraries(${LIB} PRIVATE
- Qt5::Core
- Qt5::Gui
- Qt5::Widgets
-+ Qt5::PrintSupport
-+ QMsgBox-qt5
- )
-diff -up IQmol3-3.2.0/src/Qui/CMakeLists.txt.cmakebuild IQmol3-3.2.0/src/Qui/CMakeLists.txt
---- IQmol3-3.2.0/src/Qui/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Qui/CMakeLists.txt 2025-06-11 14:02:22.687356741 +0000
-@@ -77,5 +77,6 @@ target_link_libraries(${LIB} PRIVATE
- Qt5::Sql
- Qt5::OpenGL
- ${OpenBabel3_LIBRARIES}
-+ QMsgBox-qt5
- )
-
-diff -up IQmol3-3.2.0/src/Util/CMakeLists.txt.cmakebuild IQmol3-3.2.0/src/Util/CMakeLists.txt
---- IQmol3-3.2.0/src/Util/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Util/CMakeLists.txt 2025-06-11 14:02:22.687570311 +0000
-@@ -4,7 +4,6 @@ set(LIB Util)
- set(HEADERS
- Color.h
- ColorDialog.h
-- QMsgBox.h
- LogMessageDialog.h
- ProgressDialog.h
- Task.h
-@@ -23,7 +22,6 @@ set( SOURCES
- LogMessageDialog.C
- Preferences.C
- ProgressDialog.C
-- QMsgBox.C
- QsDebugOutput.C
- QsLog.C
- QsLogDest.C
-diff -up IQmol3-3.2.0/src/Viewer/CMakeLists.txt.cmakebuild IQmol3-3.2.0/src/Viewer/CMakeLists.txt
---- IQmol3-3.2.0/src/Viewer/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Viewer/CMakeLists.txt 2025-06-11 14:02:22.687775206 +0000
-@@ -24,7 +24,6 @@ set( SOURCES
- CameraDialog.C
- Cursors.C
- GLSLmath.C
-- gl2ps.C
- ManipulateHandler.C
- ManipulateSelectionHandler.C
- ManipulatedFrameSetConstraint.C
-@@ -68,4 +67,5 @@ target_link_libraries(${LIB} PRIVATE
- Qt5::Widgets
- Qt5::Xml
- Qt5::OpenGL
-+ gl2ps
- )
diff --git a/IQmol-3.2.0-qmsgbox.patch b/IQmol-3.2.0-qmsgbox.patch
deleted file mode 100644
index d31f971..0000000
--- a/IQmol-3.2.0-qmsgbox.patch
+++ /dev/null
@@ -1,120 +0,0 @@
-diff -up IQmol3-3.2.0/src/Amber/ConfigDialog.C.qmsgbox IQmol3-3.2.0/src/Amber/ConfigDialog.C
---- IQmol3-3.2.0/src/Amber/ConfigDialog.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Amber/ConfigDialog.C 2025-08-05 09:10:15.999639213 +0000
-@@ -20,7 +20,7 @@
-
- ********************************************************************************/
-
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include "Util/Preferences.h"
- #include "Amber/ConfigDialog.h"
-
-diff -up IQmol3-3.2.0/src/Amber/ParametrizeMoleculeDialog.C.qmsgbox IQmol3-3.2.0/src/Amber/ParametrizeMoleculeDialog.C
---- IQmol3-3.2.0/src/Amber/ParametrizeMoleculeDialog.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Amber/ParametrizeMoleculeDialog.C 2025-08-05 09:10:18.283598889 +0000
-@@ -22,7 +22,7 @@
-
- #include "Layer/MoleculeLayer.h"
- #include "Layer/SystemLayer.h"
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include "Util/Preferences.h"
- #include "Amber/ConfigDialog.h"
- #include "Amber/ParametrizeMoleculeDialog.h"
-diff -up IQmol3-3.2.0/src/Amber/SystemBuilderDialog.C.qmsgbox IQmol3-3.2.0/src/Amber/SystemBuilderDialog.C
---- IQmol3-3.2.0/src/Amber/SystemBuilderDialog.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Amber/SystemBuilderDialog.C 2025-08-05 09:10:11.932711018 +0000
-@@ -23,7 +23,7 @@
- #include "Layer/SystemLayer.h"
- #include "Layer/MoleculeLayer.h"
- #include "Layer/AtomLayer.h"
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include "Util/Preferences.h"
- #include "Amber/ConfigDialog.h"
- #include "Amber/SystemBuilderDialog.h"
-diff -up IQmol3-3.2.0/src/Layer/EfpFragmentLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/EfpFragmentLayer.C
---- IQmol3-3.2.0/src/Layer/EfpFragmentLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Layer/EfpFragmentLayer.C 2025-08-05 09:03:22.166429084 +0000
-@@ -26,7 +26,7 @@
- #include "LayerFactory.h"
- #include "Util/Preferences.h"
- #include "Math/EulerAngles.h"
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include <QFileInfo>
- #include <QFile>
- #include <QSet>
-diff -up IQmol3-3.2.0/src/Layer/GeminalOrbitalsLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/GeminalOrbitalsLayer.C
---- IQmol3-3.2.0/src/Layer/GeminalOrbitalsLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Layer/GeminalOrbitalsLayer.C 2025-08-05 09:03:22.166723893 +0000
-@@ -30,7 +30,7 @@
- #include "Grid/MarchingCubes.h"
- #include "Grid/MeshDecimator.h"
- #include "Grid/BoundingBoxDialog.h"
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include "Util/QsLog.h"
-
- #include "QGLViewer/vec.h"
-diff -up IQmol3-3.2.0/src/Layer/GroupLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/GroupLayer.C
---- IQmol3-3.2.0/src/Layer/GroupLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Layer/GroupLayer.C 2025-08-05 09:03:22.167015487 +0000
-@@ -27,7 +27,7 @@
- #include "Parser/ParseFile.h"
- #include "LayerFactory.h"
- #include "Math/Align.h"
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include "Util/QsLog.h"
- #include "Viewer/UndoCommands.h"
-
-diff -up IQmol3-3.2.0/src/Layer/MoleculeLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/MoleculeLayer.C
---- IQmol3-3.2.0/src/Layer/MoleculeLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Layer/MoleculeLayer.C 2025-08-05 09:03:22.167456529 +0000
-@@ -60,7 +60,7 @@
- #include "Viewer/UndoCommands.h"
-
- #include "Util/QsLog.h"
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include "Util/Constants.h"
- #include "Util/Preferences.h"
- #include "Process/JobInfo.h"
-diff -up IQmol3-3.2.0/src/Layer/OrbitalsLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/OrbitalsLayer.C
---- IQmol3-3.2.0/src/Layer/OrbitalsLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Layer/OrbitalsLayer.C 2025-08-05 09:03:22.167919389 +0000
-@@ -30,7 +30,7 @@
- #include "Grid/BoundingBoxDialog.h"
- #include "Data/SurfaceType.h"
- #include "Data/SurfaceInfo.h"
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include "Data/Density.h"
- #include "QGLViewer/vec.h"
- #include "Data/Surface.h"
-diff -up IQmol3-3.2.0/src/Layer/SurfaceLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/SurfaceLayer.C
---- IQmol3-3.2.0/src/Layer/SurfaceLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Layer/SurfaceLayer.C 2025-08-05 09:03:22.168179210 +0000
-@@ -28,7 +28,7 @@
- #include "Util/QsLog.h"
- #include "QGLViewer/vec.h"
- #include "Grid/MeshDecimator.h"
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include "Util/Color.h"
- #include <QColorDialog>
- #include <cmath>
-diff -up IQmol3-3.2.0/src/Layer/SystemLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/SystemLayer.C
---- IQmol3-3.2.0/src/Layer/SystemLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
-+++ IQmol3-3.2.0/src/Layer/SystemLayer.C 2025-08-05 09:03:22.168447206 +0000
-@@ -31,7 +31,7 @@
- #include "Data/Bank.h"
- #include "Viewer/UndoCommands.h"
- #include "Util/QsLog.h"
--#include "Util/QMsgBox.h"
-+#include "QMsgBox.h"
- #include "Util/Preferences.h"
- #include "Process/JobInfo.h"
-
diff --git a/IQmol-3.2.2-cmake.patch b/IQmol-3.2.2-cmake.patch
new file mode 100644
index 0000000..ad61d51
--- /dev/null
+++ b/IQmol-3.2.2-cmake.patch
@@ -0,0 +1,127 @@
+diff -up IQmol3-3.2.2/CMakeLists.txt.cmakebuild IQmol3-3.2.2/CMakeLists.txt
+--- IQmol3-3.2.2/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.2/CMakeLists.txt 2025-06-11 14:02:45.544828500 +0000
+@@ -30,6 +30,8 @@
+
+
+ find_package(Qt5 COMPONENTS Core Gui Xml PrintSupport Widgets OpenGL Sql REQUIRED)
++find_package(PkgConfig REQUIRED)
++pkg_check_modules(ZSTD REQUIRED libzstd)
+ find_package(Threads REQUIRED)
+ find_package(OpenGL REQUIRED)
+ find_package(OpenSSL REQUIRED)
+@@ -58,6 +60,7 @@
+
+ if (LINUX)
+ find_package(OpenBabel3 REQUIRED)
++ find_package(Eigen3 REQUIRED NO_MODULE)
+ include_directories(/usr/include/openbabel3)
+ else()
+ include_directories(modules/openbabel/include)
+@@ -127,6 +130,11 @@
+ set(CMAKE_AUTOUIC ON)
+ set(CMAKE_AUTOMOC ON)
+
++# We need this to be able to include e.g. "Data/Bank.h" in the sources
++include_directories(src)
++# and this to access autogenerated files
++include_directories(${CMAKE_CURRENT_BINARY_DIR}/src)
++
+ add_subdirectory(src)
+
+ enable_testing()
+@@ -145,7 +153,6 @@
+ src/main.C
+ ${IQmol_RESOURCES_RCC}
+ )
+- target_link_libraries(${targetName} -static-libgcc -static-libstdc++)
+ endif (LINUX)
+
+
+diff -up IQmol3-3.2.2/src/Grid/CMakeLists.txt.cmakebuild IQmol3-3.2.2/src/Grid/CMakeLists.txt
+--- IQmol3-3.2.2/src/Grid/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.2/src/Grid/CMakeLists.txt 2025-06-11 14:02:22.686658433 +0000
+@@ -53,4 +53,6 @@ target_link_libraries(${LIB} PRIVATE
+ Qt5::Widgets
+ Qt5::Xml
+ Qt5::OpenGL
++ OpenMeshCore
++ OpenMeshTools
+ )
+diff -up IQmol3-3.2.2/src/Math/CMakeLists.txt.cmakebuild IQmol3-3.2.2/src/Math/CMakeLists.txt
+--- IQmol3-3.2.2/src/Math/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.2/src/Math/CMakeLists.txt 2025-06-11 14:02:22.686839770 +0000
+@@ -14,7 +14,7 @@
+ add_library(${LIB} STATIC ${SOURCES})
+ target_include_directories(${LIB} PUBLIC "${${LIB}_SOURCE_DIR}")
+ target_link_libraries(${LIB} PRIVATE
+- QGLViewer
++ QGLViewer-qt5
+ Qt5::Xml
+ Qt5::OpenGL
+ )
+diff -up IQmol3-3.2.2/src/Network/CMakeLists.txt.cmakebuild IQmol3-3.2.2/src/Network/CMakeLists.txt
+--- IQmol3-3.2.2/src/Network/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.2/src/Network/CMakeLists.txt 2025-06-11 14:02:22.687011400 +0000
+@@ -39,4 +39,5 @@ target_link_libraries(${LIB} PRIVATE
+ Qt5::Widgets
+ Qt5::Network
+ OpenSSL::SSL
++ ssh2
+ )
+diff -up IQmol3-3.2.2/src/Plot/CMakeLists.txt.cmakebuild IQmol3-3.2.2/src/Plot/CMakeLists.txt
+--- IQmol3-3.2.2/src/Plot/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.2/src/Plot/CMakeLists.txt 2025-06-11 14:02:22.687182599 +0000
+@@ -19,4 +19,6 @@ target_link_libraries(${LIB} PRIVATE
+ Qt5::Core
+ Qt5::Gui
+ Qt5::Widgets
++ Qt5::PrintSupport
++ QMsgBox-qt5
+ )
+diff -up IQmol3-3.2.2/src/Qui/CMakeLists.txt.cmakebuild IQmol3-3.2.2/src/Qui/CMakeLists.txt
+--- IQmol3-3.2.2/src/Qui/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.2/src/Qui/CMakeLists.txt 2025-06-11 14:02:22.687356741 +0000
+@@ -77,5 +77,6 @@ target_link_libraries(${LIB} PRIVATE
+ Qt5::Sql
+ Qt5::OpenGL
+ ${OpenBabel3_LIBRARIES}
++ QMsgBox-qt5
+ )
+
+diff -up IQmol3-3.2.2/src/Util/CMakeLists.txt.cmakebuild IQmol3-3.2.2/src/Util/CMakeLists.txt
+--- IQmol3-3.2.2/src/Util/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.2/src/Util/CMakeLists.txt 2025-06-11 14:02:22.687570311 +0000
+@@ -4,7 +4,6 @@ set(LIB Util)
+ set(HEADERS
+ Color.h
+ ColorDialog.h
+- QMsgBox.h
+ LogMessageDialog.h
+ ProgressDialog.h
+ Task.h
+@@ -23,7 +22,6 @@ set( SOURCES
+ LogMessageDialog.C
+ Preferences.C
+ ProgressDialog.C
+- QMsgBox.C
+ QsDebugOutput.C
+ QsLog.C
+ QsLogDest.C
+diff -up IQmol3-3.2.2/src/Viewer/CMakeLists.txt.cmakebuild IQmol3-3.2.2/src/Viewer/CMakeLists.txt
+--- IQmol3-3.2.2/src/Viewer/CMakeLists.txt.cmakebuild 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.2/src/Viewer/CMakeLists.txt 2025-06-11 14:02:22.687775206 +0000
+@@ -24,7 +24,6 @@ set( SOURCES
+ CameraDialog.C
+ Cursors.C
+ GLSLmath.C
+- gl2ps.C
+ ManipulateHandler.C
+ ManipulateSelectionHandler.C
+ ManipulatedFrameSetConstraint.C
+@@ -68,4 +67,5 @@ target_link_libraries(${LIB} PRIVATE
+ Qt5::Widgets
+ Qt5::Xml
+ Qt5::OpenGL
++ gl2ps
+ )
diff --git a/IQmol-3.2.2-qmsgbox.patch b/IQmol-3.2.2-qmsgbox.patch
new file mode 100644
index 0000000..39327df
--- /dev/null
+++ b/IQmol-3.2.2-qmsgbox.patch
@@ -0,0 +1,120 @@
+diff -up IQmol3-3.2.0/src/Amber/ConfigDialog.C.qmsgbox IQmol3-3.2.0/src/Amber/ConfigDialog.C
+--- IQmol3-3.2.0/src/Amber/ConfigDialog.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.0/src/Amber/ConfigDialog.C 2025-08-05 09:10:15.999639213 +0000
+@@ -20,7 +20,7 @@
+
+ ********************************************************************************/
+
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include "Util/Preferences.h"
+ #include "Amber/ConfigDialog.h"
+
+diff -up IQmol3-3.2.0/src/Amber/ParametrizeMoleculeDialog.C.qmsgbox IQmol3-3.2.0/src/Amber/ParametrizeMoleculeDialog.C
+--- IQmol3-3.2.0/src/Amber/ParametrizeMoleculeDialog.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.0/src/Amber/ParametrizeMoleculeDialog.C 2025-08-05 09:10:18.283598889 +0000
+@@ -22,7 +22,7 @@
+
+ #include "Layer/MoleculeLayer.h"
+ #include "Layer/SystemLayer.h"
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include "Util/Preferences.h"
+ #include "Amber/ConfigDialog.h"
+ #include "Amber/ParametrizeMoleculeDialog.h"
+diff -up IQmol3-3.2.0/src/Amber/SystemBuilderDialog.C.qmsgbox IQmol3-3.2.0/src/Amber/SystemBuilderDialog.C
+--- IQmol3-3.2.0/src/Amber/SystemBuilderDialog.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.0/src/Amber/SystemBuilderDialog.C 2025-08-05 09:10:11.932711018 +0000
+@@ -23,7 +23,7 @@
+ #include "Layer/SystemLayer.h"
+ #include "Layer/MoleculeLayer.h"
+ #include "Layer/AtomLayer.h"
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include "Util/Preferences.h"
+ #include "Amber/ConfigDialog.h"
+ #include "Amber/SystemBuilderDialog.h"
+diff -up IQmol3-3.2.0/src/Layer/EfpFragmentLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/EfpFragmentLayer.C
+--- IQmol3-3.2.0/src/Layer/EfpFragmentLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.0/src/Layer/EfpFragmentLayer.C 2025-08-05 09:03:22.166429084 +0000
+@@ -26,7 +26,7 @@
+ #include "LayerFactory.h"
+ #include "Util/Preferences.h"
+ #include "Math/EulerAngles.h"
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include <QFileInfo>
+ #include <QFile>
+ #include <QSet>
+diff -up IQmol3-3.2.0/src/Layer/GeminalOrbitalsLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/GeminalOrbitalsLayer.C
+--- IQmol3-3.2.0/src/Layer/GeminalOrbitalsLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.0/src/Layer/GeminalOrbitalsLayer.C 2025-08-05 09:03:22.166723893 +0000
+@@ -30,7 +30,7 @@
+ #include "Grid/MarchingCubes.h"
+ #include "Grid/MeshDecimator.h"
+ #include "Grid/BoundingBoxDialog.h"
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include "Util/QsLog.h"
+
+ #include "QGLViewer/vec.h"
+diff -up IQmol3-3.2.0/src/Layer/GroupLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/GroupLayer.C
+--- IQmol3-3.2.0/src/Layer/GroupLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.0/src/Layer/GroupLayer.C 2025-08-05 09:03:22.167015487 +0000
+@@ -27,7 +27,7 @@
+ #include "Parser/ParseFile.h"
+ #include "LayerFactory.h"
+ #include "Math/Align.h"
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include "Util/QsLog.h"
+ #include "Viewer/UndoCommands.h"
+
+diff -up IQmol3-3.2.0/src/Layer/MoleculeLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/MoleculeLayer.C
+--- IQmol3-3.2.0/src/Layer/MoleculeLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.0/src/Layer/MoleculeLayer.C 2025-08-05 09:03:22.167456529 +0000
+@@ -60,7 +60,7 @@
+ #include "Viewer/UndoCommands.h"
+
+ #include "Util/QsLog.h"
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include "Util/Constants.h"
+ #include "Util/Preferences.h"
+ #include "Process/JobInfo.h"
+diff -up IQmol3-3.2.0/src/Layer/OrbitalsLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/OrbitalsLayer.C
+--- IQmol3-3.2.2/src/Layer/OrbitalsLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.2/src/Layer/OrbitalsLayer.C 2025-08-05 09:03:22.167919389 +0000
+@@ -32,7 +32,7 @@
+ #include "Data/OrbitalSymmetries.h"
+ #include "Data/SurfaceType.h"
+ #include "Data/SurfaceInfo.h"
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include "Data/Density.h"
+ #include "QGLViewer/vec.h"
+ #include "Data/Surface.h"
+diff -up IQmol3-3.2.0/src/Layer/SurfaceLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/SurfaceLayer.C
+--- IQmol3-3.2.0/src/Layer/SurfaceLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.0/src/Layer/SurfaceLayer.C 2025-08-05 09:03:22.168179210 +0000
+@@ -28,7 +28,7 @@
+ #include "Util/QsLog.h"
+ #include "QGLViewer/vec.h"
+ #include "Grid/MeshDecimator.h"
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include "Util/Color.h"
+ #include <QColorDialog>
+ #include <cmath>
+diff -up IQmol3-3.2.0/src/Layer/SystemLayer.C.qmsgbox IQmol3-3.2.0/src/Layer/SystemLayer.C
+--- IQmol3-3.2.0/src/Layer/SystemLayer.C.qmsgbox 2025-06-10 11:23:43.000000000 +0000
++++ IQmol3-3.2.0/src/Layer/SystemLayer.C 2025-08-05 09:03:22.168447206 +0000
+@@ -31,7 +31,7 @@
+ #include "Data/Bank.h"
+ #include "Viewer/UndoCommands.h"
+ #include "Util/QsLog.h"
+-#include "Util/QMsgBox.h"
++#include "QMsgBox.h"
+ #include "Util/Preferences.h"
+ #include "Process/JobInfo.h"
+
diff --git a/IQmol.spec b/IQmol.spec
index a05f195..1adef7f 100644
--- a/IQmol.spec
+++ b/IQmol.spec
@@ -1,29 +1,20 @@
Name: IQmol
-Version: 3.2.0
-Release: 5%{?dist}
+Version: 3.2.2
+Release: 1%{?dist}
Summary: A free open-source molecular editor and visualization package
-# Automatically converted from old format: BSD and GPLv2+ and GPLv3+ - review is highly recommended.
-License: LicenseRef-Callaway-BSD AND GPL-2.0-or-later AND GPL-3.0-or-later
+License: BSD-3-Clause AND GPL-2.0-or-later AND GPL-3.0-or-later
URL: http://iqmol.org
-Source0: https://github.com/nutjunkie/IQmol3/archive/v%{version}/%{name}-%{version}.tar.gz
+Source0: https://github.com/nutjunkie/IQmol3/archive/v%{version}/%{name}3-%{version}.tar.gz
# Patch in correct fragment and QChem interface setting directory
Patch1: IQmol3-fragdir.patch
-# Don't mess with OpenBabel's directories
-Patch4: IQmol-2.13-openbabel.patch
# Fix CMake build
-Patch5: IQmol-3.2.0-cmake.patch
+Patch5: IQmol-3.2.2-cmake.patch
# Use external QMSGBox headers
-Patch6: IQmol-3.2.0-qmsgbox.patch
-# Add missing interdependencies
-Patch7: IQmol-3.1.2-builddeps.patch
+Patch6: IQmol-3.2.2-qmsgbox.patch
# and missing links
Patch8: IQmol3-3.1.2-missinglink.patch
# Fix the desktop icon
Patch9: IQmol-3.1.4-fixdesktop.patch
-# Fix issues in source
-Patch10: https://github.com/nutjunkie/IQmol3/pull/26.patch
-# Fix missing file error
-Patch11: https://github.com/nutjunkie/IQmol3/pull/27.patch
# https://fedoraproject.org/wiki/Changes/EncourageI686LeafRemoval
ExcludeArch: %{ix86}
@@ -33,6 +24,7 @@ BuildRequires: boost-devel
BuildRequires: gcc-c++
BuildRequires: gcc-gfortran
BuildRequires: desktop-file-utils
+BuildRequires: eigen3-devel
BuildRequires: gl2ps-devel
BuildRequires: highfive-devel
BuildRequires: libarchive-devel
@@ -65,16 +57,12 @@ BuildArch: noarch
This package contains samples for IQmol.
%prep
-%setup -q -n IQmol3-%{version}
-%patch 1 -p1 -b .fragdir
-%patch 4 -p1 -b .openbabel
-%patch 5 -p1 -b .cmakebuild
-%patch 6 -p1 -b .qmsgbox
-#patch 7 -p1 -b .builddeps
-%patch 8 -p1 -b .missinglink
-%patch 9 -p1 -b .fixdesktop
-%patch 10 -p1 -b .capitalization
-%patch 11 -p1 -b .amber
+%autosetup -n IQmol3-%{version} -N
+%patch -P 1 -p1 -b .fragdir
+%patch -P 5 -p1 -b .cmakebuild
+%patch -P 6 -p1 -b .qmsgbox
+%patch -P 8 -p1 -b .missinglink
+%patch -P 9 -p1 -b .fixdesktop
# Get rid of bundled gl2ps
rm src/Viewer/gl2ps.{h,C}
@@ -90,6 +78,8 @@ rm -rf src/OpenMesh/
find . -name .DS_Store -delete
%build
+export LDFLAGS="%{__global_ldflags} -larchive"
+export CXXFLAGS="%{optflags} -larchive"
# The IQmol build is based on libraries but the objects should be linked to the binary
%cmake -DBUILD_SHARED_LIBS:BOOL=OFF
%cmake_build
@@ -115,6 +105,11 @@ desktop-file-install --dir=%{buildroot}%{_datadir}/applications/ resources/iqmol
%doc samples/*
%changelog
+* Fri Jun 26 2026 Antonio Trande <sagitter@fedoraproject.org> - 3.2.2-1
+- Release 3.2.2
+- Rebuilt for openbabel-3.2.0
+- Force link to libarchive
+
* Fri Jun 12 2026 Yaakov Selkowitz <yselkowi@redhat.com> - 3.2.0-5
- Rebuilt for openssl 4.0
diff --git a/sources b/sources
index 5ff80cf..d94e4f0 100644
--- a/sources
+++ b/sources
@@ -1 +1 @@
-SHA512 (IQmol-3.2.0.tar.gz) = cc1fdf894e097f7c81257bc39ed129d8be2a73c1c15d2e233e10e92c7d749e5a68f7cc09d554f333ccd66488331ac74822944a6155c70273f97b62335f966d95
+SHA512 (IQmol3-3.2.2.tar.gz) = 572e49fffdc4e4e704de5ee6ac48f37982815febb4fae06a13158c93e6a450ab91aed0b897c9cac0a4c1589154b06dd79c06e36cc98ce36d56e7dc8657cb098b
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