Basic Qt6 support

Co-authored-by: Jarrett Johnson <[email protected]>
Co-authored-by: Thomas Holder <[email protected]>

.github/workflows/build.yml

@@ -74,7 +74,7 @@ jobs:
       shell: cmd
       run: |-
         CALL %CONDA_ROOT%\\Scripts\\activate.bat
-        conda install -y -c conda-forge -c schrodinger python cmake libpng freetype pyqt glew libxml2 numpy=1.26.4 catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pytest pip python-build
+        conda install -y -c conda-forge -c schrodinger python cmake libpng freetype pyside6 glew libxml2 numpy=1.26.4 catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pytest pip python-build
 
     - name: Conda info
       shell: cmd
@@ -117,7 +117,7 @@ jobs:
         bash $CONDA_ROOT.sh -b -p $CONDA_ROOT
         export PATH="$CONDA_ROOT/bin:$PATH"
         conda config --set quiet yes
-        conda install -y -c conda-forge -c schrodinger python cmake libpng freetype pyqt glew libxml2 numpy=1.26.4 catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pytest pip python-build
+        conda install -y -c conda-forge -c schrodinger python cmake libpng freetype pyside6 glew libxml2 numpy=1.26.4 catch2=2.13.3 glm libnetcdf collada2gltf biopython pillow msgpack-python pytest pip python-build
         conda info
 
     - name: Get additional sources

INSTALL

@@ -22,7 +22,7 @@ REQUIREMENTS
     - msgpack-c 2.1.5+ (optional, for fast MMTF loading and export,
         disable with --use-msgpackc=no)
     - mmtf-cpp (for fast MMTF export, disable with --use-msgpackc=no)
-    - PyQt5, PyQt4, PySide2 or PySide (optional, will fall back to Tk
+    - PyQt5, PyQt6, PySide2 or PySide6 (optional, will fall back to Tk
         interface if compiled with --glut)
     - glm
     - catch2 (optional, enable with --testing)

modules/pmg_qt/TextEditor.py

@@ -192,4 +192,4 @@ def _edit_pymolrc(app, _list=()):
         filename = ''
     app = QtWidgets.QApplication(['Test'])
     edit_pymolrc()
-    app.exec_()
+    app.exec()

modules/pmg_qt/file_dialogs.py

@@ -85,7 +85,7 @@ def ask_partial(parent, kwargs, fname):
     form.check_rename.setChecked(parent.cmd.get_setting_boolean(
         'auto_rename_duplicate_objects'))
 
-    if not form._dialog.exec_():
+    if not form._dialog.exec():
         return False
 
     if form.check_partial.isChecked():

modules/pmg_qt/forms/render.ui

@@ -419,38 +419,5 @@ alpha-channel background.</string>
   <tabstop>button_back</tabstop>
  </tabstops>
  <resources/>
- <connections>
-  <connection>
-   <sender>input_units</sender>
-   <signal>currentIndexChanged(QString)</signal>
-   <receiver>input_height_units</receiver>
-   <slot>setSuffix(QString)</slot>
-   <hints>
-    <hint type="sourcelabel">
-     <x>102</x>
-     <y>119</y>
-    </hint>
-    <hint type="destinationlabel">
-     <x>237</x>
-     <y>57</y>
-    </hint>
-   </hints>
-  </connection>
-  <connection>
-   <sender>input_units</sender>
-   <signal>currentIndexChanged(QString)</signal>
-   <receiver>input_width_units</receiver>
-   <slot>setSuffix(QString)</slot>
-   <hints>
-    <hint type="sourcelabel">
-     <x>102</x>
-     <y>119</y>
-    </hint>
-    <hint type="destinationlabel">
-     <x>237</x>
-     <y>30</y>
-    </hint>
-   </hints>
-  </connection>
- </connections>
+ <connections/>
 </ui>

modules/pmg_qt/pymol_gl_widget.py

@@ -20,7 +20,8 @@
 # no stereo support)
 USE_QOPENGLWIDGET = int(
     os.getenv("PYMOL_USE_QOPENGLWIDGET") or
-    (pymol.IS_MACOS and QtCore.QT_VERSION >= 0x50400))
+    (QtCore.QT_VERSION >= 0x50400 and pymol.IS_MACOS or
+     QtCore.QT_VERSION >= 0x60000))
 
 if USE_QOPENGLWIDGET:
     BaseGLWidget = QtWidgets.QOpenGLWidget
@@ -167,9 +168,10 @@ def gestureEvent(self, ev):
         return True
 
     def _event_x_y_mod(self, ev):
+        pos = ev.position() if hasattr(ev, "position") else ev.pos()
         return (
-            int(self.fb_scale * ev.x()),
-            int(self.fb_scale * (self.height() - ev.y())),
+            int(self.fb_scale * pos.x()),
+            int(self.fb_scale * (self.height() - pos.y())),
             get_modifiers(ev),
         )
 

modules/pmg_qt/pymol_qt_gui.py

@@ -376,8 +376,9 @@ def _():
         # some experimental window control
         menu = self.menudict['Display'].addSeparator()
         menu = self.menudict['Display'].addMenu('External GUI')
-        menu.addAction('Toggle floating', self.toggle_ext_window_dockable,
-                       QtGui.QKeySequence('Ctrl+E'))
+        menu.addAction('Toggle dockable', self.toggle_ext_window_dockable).setShortcut(
+            QtGui.QKeySequence('Ctrl+E'))
+
         ext_vis_action = self.ext_window.toggleViewAction()
         ext_vis_action.setText('Visible')
         menu.addAction(ext_vis_action)
@@ -757,6 +758,10 @@ def run_copy_clipboard():
             form.input_dpi.setEditText(str(dpi))
         form.input_dpi.setValidator(QtGui.QIntValidator())
 
+        # This connection used to be in the .ui file, but that fails with Qt6
+        form.input_units.currentTextChanged.connect(lambda s: form.input_height_units.setSuffix(s))
+        form.input_units.currentTextChanged.connect(lambda s: form.input_width_units.setSuffix(s))
+
         form.input_units.currentIndexChanged.connect(update_units)
         form.input_dpi.editTextChanged.connect(update_pixels)
         form.input_width.valueChanged.connect(update_units)
@@ -782,6 +787,7 @@ def run_copy_clipboard():
 
         if widget is None:
             form._dialog.show()
+        return form
 
     @PopupOnException.decorator
     def _file_save(self, filter, format):
@@ -1255,4 +1261,4 @@ def _call_with_opengl_context_gui_thread(func):
     if options.plugins:
         window.initializePlugins()
 
-    app.exec_()
+    app.exec()

modules/pymol/Qt/__init__.py

@@ -8,7 +8,16 @@
 http://pyqt.sourceforge.net/Docs/PyQt5/pyqt4_differences.html
 """
 
-DEBUG = False
+DEBUG = True  # Turn off for open-source
+
+PYQT_NAME = None
+QtWidgets = None
+
+try:
+    from pymol._Qt_pre import *
+except ImportError:
+    if DEBUG:
+        print('import _Qt_pre failed')
 
 PYQT_NAME = None
 QtWidgets = None
@@ -39,26 +48,23 @@
         if DEBUG:
             print('import PySide2 failed')
 
-if not PYQT_NAME and qt_api in ('', 'pyqt4'):
+if not PYQT_NAME and qt_api in ('', 'pyqt6'):
     try:
-        try:
-            import PyQt4.sip as sip
-        except ImportError:
-            import sip
-        sip.setapi("QString", 2)
-        from PyQt4 import QtGui, QtCore, QtOpenGL
-        PYQT_NAME = 'PyQt4'
+        from PyQt6 import QtGui, QtCore, QtOpenGL, QtWidgets
+        from PyQt6 import QtOpenGLWidgets
+        PYQT_NAME = 'PyQt6'
     except ImportError:
         if DEBUG:
-            print('import PyQt4 failed')
+            print('import PyQt6 failed')
 
-if not PYQT_NAME and qt_api in ('', 'pyside'):
+if not PYQT_NAME and qt_api in ('', 'pyside6'):
     try:
-        from PySide import QtGui, QtCore, QtOpenGL
-        PYQT_NAME = 'PySide'
+        from PySide6 import QtGui, QtCore, QtOpenGL, QtWidgets
+        from PySide6 import QtOpenGLWidgets
+        PYQT_NAME = 'PySide6'
     except ImportError:
         if DEBUG:
-            print('import PySide failed')
+            print('import PySide6 failed')
 
 if not PYQT_NAME:
     raise ImportError(__name__)
@@ -74,12 +80,46 @@
 else:
     QtCoreModels = QtGui
 
-if PYQT_NAME == 'PyQt4':
-    QFileDialog = QtWidgets.QFileDialog
-    QFileDialog.getOpenFileName = QFileDialog.getOpenFileNameAndFilter
-    QFileDialog.getOpenFileNames = QFileDialog.getOpenFileNamesAndFilter
-    QFileDialog.getSaveFileName = QFileDialog.getSaveFileNameAndFilter
-    del QFileDialog
+if PYQT_NAME.endswith('6'):
+    QtWidgets.QOpenGLWidget = QtOpenGLWidgets.QOpenGLWidget
+    QtWidgets.QActionGroup = QtGui.QActionGroup
+    QtWidgets.QAction = QtGui.QAction
+    QtWidgets.QShortcut = QtGui.QShortcut
+    QtCore.QSortFilterProxyModel.setFilterRegExp = QtCore.QSortFilterProxyModel.setFilterRegularExpression
+    QtGui.QFont.Monospace = QtGui.QFont.StyleHint.Monospace
+
+    def copy_attributes(target_class, source_class):
+        for attr in dir(source_class):
+            if not attr.startswith('_'):
+                setattr(target_class, attr, getattr(source_class, attr))
+
+    copy_attributes(QtCore.QEvent, QtCore.QEvent.Type)
+    copy_attributes(QtCore.Qt, QtCore.Qt.AlignmentFlag)
+    copy_attributes(QtCore.Qt, QtCore.Qt.CaseSensitivity)
+    copy_attributes(QtCore.Qt, QtCore.Qt.CheckState)
+    copy_attributes(QtCore.Qt, QtCore.Qt.ContextMenuPolicy)
+    copy_attributes(QtCore.Qt, QtCore.Qt.DockWidgetArea)
+    copy_attributes(QtCore.Qt, QtCore.Qt.FocusPolicy)
+    copy_attributes(QtCore.Qt, QtCore.Qt.GestureType)
+    copy_attributes(QtCore.Qt, QtCore.Qt.ItemFlag)
+    copy_attributes(QtCore.Qt, QtCore.Qt.Key)
+    copy_attributes(QtCore.Qt, QtCore.Qt.KeyboardModifier)
+    copy_attributes(QtCore.Qt, QtCore.Qt.MouseButton)
+    copy_attributes(QtCore.Qt, QtCore.Qt.Orientation)
+    copy_attributes(QtCore.Qt, QtCore.Qt.WindowType)
+    copy_attributes(QtGui.QFont, QtGui.QFont.StyleHint)
+    copy_attributes(QtWidgets.QAbstractItemView, QtWidgets.QAbstractItemView.ScrollHint)
+    copy_attributes(QtWidgets.QAbstractItemView, QtWidgets.QAbstractItemView.SelectionBehavior)
+    copy_attributes(QtWidgets.QAbstractItemView, QtWidgets.QAbstractItemView.SelectionMode)
+    copy_attributes(QtWidgets.QBoxLayout, QtWidgets.QBoxLayout.Direction)
+    copy_attributes(QtWidgets.QMainWindow, QtWidgets.QMainWindow.DockOption)
+    copy_attributes(QtWidgets.QOpenGLWidget, QtOpenGLWidgets.QOpenGLWidget.UpdateBehavior)
+    copy_attributes(QtWidgets.QSizePolicy, QtWidgets.QSizePolicy.Policy)
+    copy_attributes(QtWidgets.QTreeWidgetItem, QtWidgets.QTreeWidgetItem.ChildIndicatorPolicy)
+
+    QtCore.Qt.MidButton = QtCore.Qt.MiddleButton
+    QtCore.Qt.WA_LayoutUsesWidgetRect = QtCore.Qt.WidgetAttribute.WA_LayoutUsesWidgetRect
+
 
 if PYQT_NAME[:4] == 'PyQt':
     QtCore.Signal = QtCore.pyqtSignal

modules/pymol/Qt/utils.py

@@ -88,9 +88,9 @@ def setSetupUi(self, setupUi):
         @self.aboutToShow.connect
         def _():
             self.aboutToShow.disconnect()
-            widget = QtWidgets.QWidget()
-            setupUi(widget)
-            self.setWidget(widget)
+            self._widget = QtWidgets.QWidget()
+            form = setupUi(self._widget)
+            self.setWidget(form)
 
         return self
 
@@ -272,7 +272,10 @@ def loadUi(uifile, widget):
     @type uifile: str
     @type widget: QtWidgets.QWidget
     """
-    if PYQT_NAME.startswith('PyQt'):
+    if PYQT_NAME == "PySide6":
+        from PySide6.QtUiTools import QUiLoader
+        return QUiLoader().load(uifile, widget)
+    elif PYQT_NAME.startswith('PyQt'):
         m = __import__(PYQT_NAME + '.uic')
         return m.uic.loadUi(uifile, widget)
     elif PYQT_NAME == 'PySide2':
@@ -343,7 +346,7 @@ def __exit__(self, exc_type, e, tb):
             msg = str(e) or 'unknown error'
             msgbox = QMB(QMB.Critical, 'Error', msg, QMB.Close, parent)
             msgbox.setDetailedText(''.join(traceback.format_tb(tb)))
-            msgbox.exec_()
+            msgbox.exec()
 
         return True
 

modules/pymol/diagnosing.py

@@ -142,7 +142,7 @@ def diagnostics_qt():
         from pymol.Qt import QtCore
         return u'{} {} (Qt {})\n'.format(
                 QtCore.__name__.split('.')[0],
-                QtCore.PYQT_VERSION_STR,
+                getattr(QtCore, "PYQT_VERSION_STR", "<N/A>"),
                 QtCore.QT_VERSION_STR)
     except Exception as e:
         return u'({})\n'.format(e)

modules/pymol/plugins/managergui_qt.py

@@ -379,7 +379,7 @@ def add_line(label, text):
         table.resizeColumnsToContents()
 
         dialog.resize(600, dialog.height())
-        dialog.exec_()
+        dialog.exec()
 
     def add_path(self):
         from .installation import get_default_user_plugin_path as userpath