port LAMMPS GUI to Qt6 while still supporting Qt5

2023-10-12 23:24:11 -04:00
parent 1a9dac83d7
commit 6ad5c0eced
5 changed files with 71 additions and 24 deletions
--- a/tools/lammps-gui/CMakeLists.txt
+++ b/tools/lammps-gui/CMakeLists.txt
@ -11,6 +11,7 @@ set(CMAKE_CXX_STANDARD_REQUIRED ON)

 option(LAMMPS_GUI_USE_PLUGIN "Load LAMMPS library dynamically at runtime" OFF)
 mark_as_advanced(LAMMPS_GUI_USE_PLUGIN)
+option(LAMMPS_GUI_USE_QT5 "Prefer using Qt5 over Qt6" OFF)

 # checks
 # when this file is included as subdirectory in the LAMMPS build, many settings are directly imported
@ -73,7 +74,15 @@ if(CMAKE_SYSTEM_NAME STREQUAL "Windows")
 endif()

 # we require Qt 5 and at least version 5.12 at that.
-find_package(Qt5 5.12 REQUIRED COMPONENTS Widgets Charts)
+if(NOT LAMMPS_GUI_USE_QT5)
+  find_package(Qt6 6.2 COMPONENTS Widgets Charts)
+endif()
+if(NOT Qt6_FOUND)
+  find_package(Qt5 5.12 REQUIRED COMPONENTS Widgets Charts)
+  set(QT_VERSION_MAJOR "5")
+else()
+  set(QT_VERSION_MAJOR "6")
+endif()

 set(PROJECT_SOURCES
  main.cpp
@ -105,7 +114,11 @@ set(PROJECT_SOURCES
  ${PLUGIN_LOADER_SRC}
  ${ICON_RC_FILE}
 )
-qt5_add_resources(PROJECT_SOURCES lammpsgui.qrc)
+if(QT_VERSION_MAJOR EQUAL 6)
+  qt6_add_resources(PROJECT_SOURCES lammpsgui.qrc)
+else()
+  qt5_add_resources(PROJECT_SOURCES lammpsgui.qrc)
+endif()

 if(APPLE)
  set(MACOSX_ICON_FILE ${LAMMPS_DIR}/cmake/packaging/lammps.icns)
@ -113,10 +126,22 @@ if(APPLE)
  set(MACOSX_BACKGROUND_FILE ${LAMMPS_DIR}/cmake/packaging/LAMMPS_DMG_Background.png)
 endif()

-add_executable(lammps-gui
+if(QT_VERSION_MAJOR EQUAL 6)
+  qt_add_executable(lammps-gui
+    MANUAL_FINALIZATION
    ${MACOSX_ICON_FILE}
    ${PROJECT_SOURCES}
-)
+  )
+else()
+  add_executable(lammps-gui
+    ${MACOSX_ICON_FILE}
+    ${PROJECT_SOURCES}
+  )
+endif()
+
+if(QT_VERSION_MAJOR EQUAL 6)
+    qt_finalize_executable(lammps-gui)
+endif()

 # compilation settings
 if(LAMMPS_GUI_USE_PLUGIN)
@ -128,7 +153,7 @@ else()
 endif()
 target_include_directories(lammps-gui PRIVATE ${CMAKE_CURRENT_SOURCE_DIR})
 target_compile_definitions(lammps-gui PRIVATE LAMMPS_GUI_VERSION="${PROJECT_VERSION}")
-target_link_libraries(lammps-gui PRIVATE Qt5::Widgets Qt5::Charts)
+target_link_libraries(lammps-gui PRIVATE Qt${QT_VERSION_MAJOR}::Widgets Qt${VERSION_MAJOR}::Charts)
 if(BUILD_OMP)
  find_package(OpenMP COMPONENTS CXX REQUIRED)
  target_link_libraries(lammps-gui PRIVATE OpenMP::OpenMP_CXX)
@ -209,7 +234,7 @@ elseif((CMAKE_SYSTEM_NAME STREQUAL "Windows") AND CMAKE_CROSSCOMPILING)
    COMMENT "Create zip file with windows binaries"
    BYPRODUCT LAMMPS-Win10-amd64.zip
    WORKING_DIRECTORY ${CMAKE_BINARY_DIR})
-elseif(CMAKE_SYSTEM_NAME STREQUAL "Linux")
+elseif((CMAKE_SYSTEM_NAME STREQUAL "Linux") AND NOT LAMMPS_GUI_USE_PLUGIN)
  install(TARGETS lammps-gui DESTINATION ${CMAKE_INSTALL_BINDIR})
  install(FILES ${CMAKE_CURRENT_SOURCE_DIR}/lammps-gui.desktop DESTINATION ${CMAKE_INSTALL_DATADIR}/applications/)
  install(FILES ${CMAKE_CURRENT_SOURCE_DIR}/lammps-input.xml DESTINATION ${CMAKE_INSTALL_DATADIR}/mime/packages/)
--- a/tools/lammps-gui/chartviewer.cpp
+++ b/tools/lammps-gui/chartviewer.cpp
@ -15,11 +15,19 @@

 #include "lammpsgui.h"

+#include <QAction>
+#include <QApplication>
+#include <QFileDialog>
 #include <QHBoxLayout>
+#include <QLabel>
+#include <QLayout>
 #include <QLineSeries>
+#include <QMenu>
+#include <QMenuBar>
 #include <QPushButton>
 #include <QSettings>
 #include <QSpacerItem>
+#include <QTextStream>
 #include <QVBoxLayout>

 using namespace QtCharts;
@ -288,7 +296,7 @@ void ChartViewer::add_data(int step, double data)
    if (last_step < step) {
        last_step = step;
        series->append(step, data);
-        auto points = series->pointsVector();
+        auto points = series->points();

        qreal xmin = 1.0e100;
        qreal xmax = -1.0e100;
@ -309,7 +317,7 @@ void ChartViewer::add_data(int step, double data)

 void ChartViewer::reset_zoom()
 {
-    auto points = series->pointsVector();
+    auto points = series->points();

    qreal xmin = 1.0e100;
    qreal xmax = -1.0e100;
--- a/tools/lammps-gui/chartviewer.h
+++ b/tools/lammps-gui/chartviewer.h
@ -14,16 +14,17 @@
 #ifndef CHARTVIEWER_H
 #define CHARTVIEWER_H

+#include <QComboBox>
 #include <QList>
 #include <QString>
 #include <QWidget>
-#include <QtCharts>

 class QAction;
 class QMenuBar;
 class QMenu;
-class QComboBox;
+namespace QtCharts {
 class ChartViewer;
+}

 class ChartWindow : public QWidget {
    Q_OBJECT
@ -64,12 +65,18 @@ private:
    QAction *closeAct, *stopAct, *quitAct;

    QString filename;
-    QList<ChartViewer *> charts;
+    QList<QtCharts::ChartViewer *> charts;
 };

 /* -------------------------------------------------------------------- */

-class ChartViewer : public QtCharts::QChartView {
+#include <QChart>
+#include <QChartView>
+#include <QLineSeries>
+#include <QValueAxis>
+
+namespace QtCharts {
+class ChartViewer : public QChartView {
    Q_OBJECT

 public:
@ -86,11 +93,12 @@ public:

 private:
    int last_step, index;
-    QtCharts::QChart *chart;
-    QtCharts::QLineSeries *series;
-    QtCharts::QValueAxis *xaxis;
-    QtCharts::QValueAxis *yaxis;
+    QChart *chart;
+    QLineSeries *series;
+    QValueAxis *xaxis;
+    QValueAxis *yaxis;
 };
+} // namespace QtCharts
 #endif

 // Local Variables:
--- a/tools/lammps-gui/lammpsgui.cpp
+++ b/tools/lammps-gui/lammpsgui.cpp
@ -35,6 +35,7 @@
 #include <QLabel>
 #include <QLocale>
 #include <QMessageBox>
+#include <QMetaType>
 #include <QPlainTextEdit>
 #include <QProcess>
 #include <QProgressBar>
@ -69,8 +70,10 @@ LammpsGui::LammpsGui(QWidget *parent, const char *filename) :
    // enforce using the plain ASCII C locale within the GUI.
    QLocale::setDefault(QLocale("C"));

-    // register QList<QString>
+#if QT_VERSION < QT_VERSION_CHECK(6, 0, 0)
+    // register QList<QString> only needed for Qt5
    qRegisterMetaTypeStreamOperators<QList<QString>>("QList<QString>");
+#endif

    ui->setupUi(this);
    this->setCentralWidget(ui->textEdit);
@ -588,7 +591,8 @@ void LammpsGui::open_file(const QString &fileName)
    if (!file.open(QIODevice::ReadOnly | QFile::Text)) {
        QMessageBox::warning(this, "Warning",
                             "Cannot open file " + path.absoluteFilePath() + ": " +
-                                 file.errorString() + ".\nWill create new file on saving editor buffer.");
+                                 file.errorString() +
+                                 ".\nWill create new file on saving editor buffer.");
        ui->textEdit->document()->setPlainText(QString());
    } else {
        QTextStream in(&file);
@ -1039,9 +1043,9 @@ void LammpsGui::do_run(bool use_buffer)
    logwindow->document()->setDefaultFont(text_font);
    logwindow->setLineWrapMode(LogWindow::NoWrap);
    logwindow->setMinimumSize(400, 300);
-    QShortcut *shortcut = new QShortcut(QKeySequence(Qt::CTRL + Qt::Key_W), logwindow);
+    QShortcut *shortcut = new QShortcut(QKeySequence(Qt::CTRL | Qt::Key_W), logwindow);
    QObject::connect(shortcut, &QShortcut::activated, logwindow, &LogWindow::close);
-    shortcut = new QShortcut(QKeySequence(Qt::CTRL + Qt::Key_Slash), logwindow);
+    shortcut = new QShortcut(QKeySequence(Qt::CTRL | Qt::Key_Slash), logwindow);
    QObject::connect(shortcut, &QShortcut::activated, this, &LammpsGui::stop_run);
    if (settings.value("viewlog", true).toBool())
        logwindow->show();
@ -1058,9 +1062,9 @@ void LammpsGui::do_run(bool use_buffer)
            .arg(run_counter));
    chartwindow->setWindowIcon(QIcon(":/icons/lammps-icon-128x128.png"));
    chartwindow->setMinimumSize(400, 300);
-    shortcut = new QShortcut(QKeySequence(Qt::CTRL + Qt::Key_W), chartwindow);
+    shortcut = new QShortcut(QKeySequence(Qt::CTRL | Qt::Key_W), chartwindow);
    QObject::connect(shortcut, &QShortcut::activated, chartwindow, &ChartWindow::close);
-    shortcut = new QShortcut(QKeySequence(Qt::CTRL + Qt::Key_Slash), chartwindow);
+    shortcut = new QShortcut(QKeySequence(Qt::CTRL | Qt::Key_Slash), chartwindow);
    QObject::connect(shortcut, &QShortcut::activated, this, &LammpsGui::stop_run);
    if (settings.value("viewchart", true).toBool())
        chartwindow->show();
--- a/tools/lammps-gui/lammpsgui.h
+++ b/tools/lammps-gui/lammpsgui.h
@ -16,8 +16,10 @@

 #include <QMainWindow>

+#include <QGridLayout>
 #include <QList>
 #include <QPair>
+#include <QSpacerItem>
 #include <QString>
 #include <vector>