Scoped enums for PyQt6 proper support

INSTALL

@@ -15,19 +15,19 @@ REQUIREMENTS
       https://github.com/schrodinger/pmw-patched
     - OpenGL
     - GLEW
-    - GLUT (freeglut) (optional, enable with --glut)
+    - GLUT (freeglut) (optional, enable with --glut=true)
     - libpng
     - freetype
-    - libxml2 (optional, for COLLADA export, disable with --no-libxml)
+    - libxml2 (optional, for COLLADA export, disable with --libxml=false)
     - 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, PyQt6, PySide2 or PySide6 (optional, will fall back to Tk
         interface if compiled with --glut)
     - glm
-    - catch2 (optional, enable with --testing)
+    - catch2 (optional, enable with --testing=true)
     - openvr 1.0.x (optional, enable with --openvr)
-    - libnetcdf (optional, disable with --no-vmd-plugins)
+    - libnetcdf (optional, disable with --vmd-plugins=no)
 
 SETUP OPTIONS
 
@@ -57,7 +57,9 @@ INSTALLATION
 
 RUNNING PyMOL
 
-    ~/someplace/bin/pymol
+    $PYMOL_PATH/bin/pymol
+    or
+    $PYTHONUSERBASE/bin/pymol
 
 Good luck!
 

data/startup/apbs_gui/qtwidgets.py

@@ -4,13 +4,13 @@
 class ResizableMessageBox(QtWidgets.QMessageBox):
 
     _EVENT_TYPES = (
-            QtCore.QEvent.UpdateRequest,
-            QtCore.QEvent.WinIdChange,
-            QtCore.QEvent.ShowToParent,
+            QtCore.QEvent.Type.UpdateRequest,
+            QtCore.QEvent.Type.WinIdChange,
+            QtCore.QEvent.Type.ShowToParent,
             )
 
     _UNWANTED_WINDOW_FLAGS = (
-            QtCore.Qt.MSWindowsFixedSizeDialogHint |
+            QtCore.Qt.WindowType.MSWindowsFixedSizeDialogHint |
             0)
 
     def _make_resizable(self):

data/startup/lightingsettings_gui/main.py

@@ -13,7 +13,7 @@
 class SettingSlider(QtWidgets.QSlider):
 
     def __init__(self, parent, setting, min_val, max_val, res, line_edit):
-        super(SettingSlider, self).__init__(Qt.Horizontal, parent)
+        super(SettingSlider, self).__init__(Qt.Orientation.Horizontal, parent)
 
         self.setting = setting
         self.min_val = float(min_val)
@@ -211,7 +211,7 @@ def create_dialog():
     form_layout = QtWidgets.QFormLayout()
     form_layout.setContentsMargins(0, 0, 0, 0)
     form_layout.setVerticalSpacing(0)
-    form_layout.setLabelAlignment(Qt.AlignLeft)
+    form_layout.setLabelAlignment(Qt.AlignmentFlag.AlignLeft)
     layout.addLayout(form_layout)
 
     for i, item in enumerate(sliders, 1):

modules/pmg_qt/TextEditor.py

@@ -6,17 +6,11 @@
 import sys
 import importlib
 
-try:
-    from pymol.Qt import QtCore, QtWidgets, QtGui
-    from pymol.Qt.utils import connectFontContextMenu, getMonospaceFont
-except ImportError:
-    from PyQt5 import QtCore, QtWidgets, QtGui
-    connectFontContextMenu = lambda *a: None
-    getMonospaceFont = lambda: QtGui.QFont()
+from pymol.Qt import QtCore, QtWidgets, QtGui
+from pymol.Qt.utils import connectFontContextMenu, getMonospaceFont
 
 
 class TextEditor(QtWidgets.QMainWindow):
-
     def sizeHint(self):
         return QtCore.QSize(600, 400)
 
@@ -91,14 +85,14 @@ def doOpen(self, *args):
             self._open(fnames[0])
 
     def check_ask_save(self):
-        QMessageBox = QtWidgets.QMessageBox
+        SB = QtWidgets.QMessageBox.StandardButton
         if self._get() != self._savedcontent:
             ok = QMessageBox.question(None, "Save?", "Save changes?",
-                                      QMessageBox.Yes | QMessageBox.No |
-                                      QMessageBox.Cancel, QMessageBox.Yes)
-            if ok == QMessageBox.Yes:
+                                      SB.Yes | SB.No |
+                                      SB.Cancel, SB.Yes)
+            if ok == SB.Yes:
                 self.doSave()
-            elif ok == QMessageBox.Cancel:
+            elif ok == SB.Cancel:
                 return False
         return True
 
@@ -176,7 +170,7 @@ def _edit_pymolrc(app, _list=()):
 
         pymolrc, ok = QtWidgets.QInputDialog.getText(
             None, 'Create new pymolrc?', 'Filename of new pymolrc',
-            QtWidgets.QLineEdit.Normal, pymolrc)
+            QtWidgets.QLineEdit.EchoMode.Normal, pymolrc)
 
         if not ok:
             return

modules/pmg_qt/advanced_settings_gui.py

@@ -11,7 +11,7 @@ class PyMOLAdvancedSettings(QtWidgets.QWidget):
     options and adds them to a filterable table.
     """
     def __init__(self, parent, cmd):
-        QtWidgets.QWidget.__init__(self, parent, Qt.Window)
+        QtWidgets.QWidget.__init__(self, parent, Qt.WindowType.Window)
         self.setMinimumSize(400, 500)
         self.cmd = cmd
 
@@ -51,12 +51,12 @@ def populateData(self):
 
             value_item = QSI()
             name_item = QSI(name)
-            name_item.setFlags(Qt.ItemIsEnabled)
+            name_item.setFlags(Qt.ItemFlag.ItemIsEnabled)
             if v_type == 1:  # CheckBox type
                 value_item.setCheckable(True)
                 value_item.setEditable(False)  # Can't edit text (but toggles)
                 if v_list[0]:
-                    value_item.setCheckState(Qt.Checked)
+                    value_item.setCheckState(Qt.CheckState.Checked)
             else:  # Text type
                 if v_type in (2, 6):  # int, str
                     value_item.setText(str(v_list[0]))
@@ -93,7 +93,7 @@ def itemChanged(self, item):
             index = item.data()
 
         if item.isCheckable():
-            checked = item.checkState() == Qt.Checked
+            checked = item.checkState() == Qt.CheckState.Checked
             self.cmd.set(index, checked, log=1, quiet=0)
         else:
             self.cmd.set(index, item.text(), log=1, quiet=0)

modules/pmg_qt/builder.py

@@ -1020,7 +1020,7 @@ def __init__(self, form="B", double_helix=True):
 
 def makeFragmentButton():
     btn = QtWidgets.QPushButton()
-    btn.setAttribute(Qt.WA_LayoutUsesWidgetRect) # OS X workaround
+    btn.setAttribute(Qt.WidgetAttribute.WA_LayoutUsesWidgetRect) # OS X workaround
     btn.setSizePolicy(
             QtWidgets.QSizePolicy.Minimum,
             QtWidgets.QSizePolicy.MinimumExpanding)

modules/pmg_qt/keymapping.py

@@ -8,36 +8,36 @@
 DEBUG = False
 
 keyMap = {
-    Qt.Key_Escape: 27,
-    Qt.Key_Tab: 9,
-    Qt.Key_Backspace: 8,
-    Qt.Key_Return: 13,
-    Qt.Key_Enter: 13,
-    Qt.Key_Delete: 127,
+    Qt.Key.Key_Escape: 27,
+    Qt.Key.Key_Tab: 9,
+    Qt.Key.Key_Backspace: 8,
+    Qt.Key.Key_Return: 13,
+    Qt.Key.Key_Enter: 13,
+    Qt.Key.Key_Delete: 127,
 }
 
 specialMap = {
-    Qt.Key_Left: 100,
-    Qt.Key_Up: 101,
-    Qt.Key_Right: 102,
-    Qt.Key_Down: 103,
-    Qt.Key_PageUp: 104,
-    Qt.Key_PageDown: 105,
-    Qt.Key_Home: 106,
-    Qt.Key_End: 107,
-    Qt.Key_Insert: 108,
-    Qt.Key_F1: 1,
-    Qt.Key_F2: 2,
-    Qt.Key_F3: 3,
-    Qt.Key_F4: 4,
-    Qt.Key_F5: 5,
-    Qt.Key_F6: 6,
-    Qt.Key_F7: 7,
-    Qt.Key_F8: 8,
-    Qt.Key_F9: 9,
-    Qt.Key_F10: 10,
-    Qt.Key_F11: 11,
-    Qt.Key_F12: 12,
+    Qt.Key.Key_Left: 100,
+    Qt.Key.Key_Up: 101,
+    Qt.Key.Key_Right: 102,
+    Qt.Key.Key_Down: 103,
+    Qt.Key.Key_PageUp: 104,
+    Qt.Key.Key_PageDown: 105,
+    Qt.Key.Key_Home: 106,
+    Qt.Key.Key_End: 107,
+    Qt.Key.Key_Insert: 108,
+    Qt.Key.Key_F1: 1,
+    Qt.Key.Key_F2: 2,
+    Qt.Key.Key_F3: 3,
+    Qt.Key.Key_F4: 4,
+    Qt.Key.Key_F5: 5,
+    Qt.Key.Key_F6: 6,
+    Qt.Key.Key_F7: 7,
+    Qt.Key.Key_F8: 8,
+    Qt.Key.Key_F9: 9,
+    Qt.Key.Key_F10: 10,
+    Qt.Key.Key_F11: 11,
+    Qt.Key.Key_F12: 12,
 }
 
 
@@ -47,10 +47,10 @@ def get_modifiers(ev):
     qtmodifiers = ev.modifiers()
 
     for mask, qtm in [
-        (0x1, Qt.ShiftModifier),
-        (0x2, Qt.MetaModifier),  # CTRL on Mac
-        (0x2, Qt.ControlModifier),
-        (0x4, Qt.AltModifier)
+        (0x1, Qt.KeyboardModifier.ShiftModifier),
+        (0x2, Qt.KeyboardModifier.MetaModifier),  # CTRL on Mac
+        (0x2, Qt.KeyboardModifier.ControlModifier),
+        (0x4, Qt.KeyboardModifier.AltModifier)
     ]:
         if qtmodifiers & qtm:
             pymolmod |= mask
@@ -115,7 +115,7 @@ def get_wheel_delta(ev):
 
     if abs(delta_y) < abs(delta_x):
         # Shift+Wheel emulates horizontal scrolling
-        if not (ev.modifiers() & Qt.ShiftModifier):
+        if not (ev.modifiers() & Qt.KeyboardModifier.ShiftModifier):
             return 0
         return delta_x
 

modules/pmg_qt/mimic_tk.py

@@ -12,25 +12,28 @@
 
 class _qtMessageBox:
     def __getattr__(self, name):
-        QMB = QtWidgets.QMessageBox
+        SB = QtWidgets.QMessageBox.StandardButton
 
         variants = {
-            'askyesno': ('question', QMB.Yes, QMB.No),
-            'askquestion': ('question', QMB.Yes, QMB.No),
-            'askokcancel': ('question', QMB.Ok, QMB.Cancel),
-            'askretrycancel': ('question', QMB.Retry, QMB.Cancel),
-            'showinfo': ('information', QMB.Ok, QMB.NoButton),
-            'showerror': ('critical', QMB.Ok, QMB.NoButton),
-            'showwarning': ('warning', QMB.Ok, QMB.NoButton),
+            'askyesno': ('question', SB.Yes, SB.No),
+            'askquestion': ('question', SB.Yes, SB.No),
+            'askokcancel': ('question', SB.Ok, SB.Cancel),
+            'askretrycancel': ('question', SB.Retry, SB.Cancel),
+            'showinfo': ('information', SB.Ok, SB.NoButton),
+            'showerror': ('critical', SB.Ok, SB.NoButton),
+            'showwarning': ('warning', SB.Ok, SB.NoButton),
         }
 
         try:
             method, ok, others = variants[name]
         except KeyError:
             raise AttributeError(name)
 
-        return lambda title, message, **kw: ok == getattr(QMB, method)(
-                None, title, message, buttons=ok | others)
+        func = getattr(QtWidgets.QMessageBox, method)
+        def wrapper(title, message, **kw):
+            reply = func(None, title, message, buttons=ok | others)
+            return reply == ok
+        return wrapper
 
 
 class _qtFileDialog:

modules/pmg_qt/properties_dialog.py

@@ -52,9 +52,9 @@ def __init__(self, parent):
     def make_entry(self, parent, label):
         item = QtWidgets.QTreeWidgetItem(parent)
         item.setText(0, str(label))
-        item.setFlags(QtCore.Qt.ItemIsEditable |
-                      QtCore.Qt.ItemIsEnabled |
-                      QtCore.Qt.ItemIsSelectable )
+        item.setFlags(Qt.ItemFlag.ItemIsEditable |
+                      Qt.ItemFlag.ItemIsEnabled |
+                      Qt.ItemFlag.ItemIsSelectable )
         return item
 
     def make_cat(self, parent, label):
@@ -280,7 +280,7 @@ def eventFilter(self, source, event):
         Event filter for creating new shortcuts. Processes the key event before passing it on.
         '''
         if (event.type() == QtCore.QEvent.KeyPress and source is self.form.treeWidget):
-            if (event.key() == QtCore.Qt.Key_Delete):
+            if (event.key() == Qt.Key.Key_Delete):
                 self.unset_caller()
                 return 0
         return super().eventFilter(source, event)

modules/pmg_qt/pymol_gl_widget.py

@@ -4,10 +4,8 @@
 
 import pymol
 
-from pymol.Qt import QtCore
-from pymol.Qt import QtGui
-from pymol.Qt import QtWidgets
-Gesture = QtCore.QEvent.Gesture
+from pymol.Qt import QtCore, QtGui, QtWidgets
+Gesture = QtCore.QEvent.Type.Gesture
 Qt = QtCore.Qt
 
 from .keymapping import get_modifiers
@@ -43,9 +41,9 @@ class PyMOLGLWidget(BaseGLWidget):
 
     # mouse button map
     _buttonMap = {
-        Qt.LeftButton: 0,
-        Qt.MidButton: 1,
-        Qt.RightButton: 2,
+        Qt.MouseButton.LeftButton: 0,
+        Qt.MouseButton.MidButton: 1,
+        Qt.MouseButton.RightButton: 2,
     }
 
     def __enter__(self):
@@ -91,7 +89,7 @@ def __init__(self, parent):
         if USE_QOPENGLWIDGET:
             super(PyMOLGLWidget, self).__init__(parent=parent)
             self.setFormat(f)
-            self.setUpdateBehavior(QtWidgets.QOpenGLWidget.PartialUpdate)
+            self.setUpdateBehavior(QtWidgets.QOpenGLWidget.UpdateBehavior.PartialUpdate)
         else:
             super(PyMOLGLWidget, self).__init__(f, parent=parent)
 
@@ -108,7 +106,7 @@ def __init__(self, parent):
         self.setMouseTracking(True)
 
         # for accepting keyboard input (command line, shortcuts)
-        self.setFocusPolicy(Qt.ClickFocus)
+        self.setFocusPolicy(Qt.FocusPolicy.ClickFocus)
 
         # for idle rendering
         self._timer = QtCore.QTimer()
@@ -119,7 +117,7 @@ def __init__(self, parent):
         self.setAcceptDrops(True)
 
         # pinch-zoom
-        self.grabGesture(Qt.PinchGesture)
+        self.grabGesture(Qt.GestureType.PinchGesture)
 
     def sizeHint(self):
         # default 640 + internal_gui, 480 + internal_feedback
@@ -136,12 +134,12 @@ def event(self, ev):
         return super(PyMOLGLWidget, self).event(ev)
 
     def gestureEvent(self, ev):
-        gesture = ev.gesture(Qt.PinchGesture)
+        gesture = ev.gesture(Qt.GestureType.PinchGesture)
 
         if gesture is None:
             return False
 
-        if gesture.state() == Qt.GestureStarted:
+        if gesture.state() == Qt.GestureState.GestureStarted:
             self.pinch_start_z = self.cmd.get_view()[11]
 
         changeFlags = gesture.changeFlags()