Add Qt6 build tests again

.github/workflows/build_qt6.yml

@@ -0,0 +1,151 @@
+name: Qt6 Build Matrix
+# Many thanks to Cristian Adam for examples
+# e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml
+# https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/
+
+
+on: [push, pull_request, workflow_dispatch]
+
+env:
+  QT_VERSION: 6.5.3
+  # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems
+  # we set MACOSX_DEPLOYMENT_TARGET later
+  MACOS_TARGET: 10.15
+  FEATURES: -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DUSE_VTK=ON -DQT_VERSION=6
+
+jobs:
+  build:
+    name: ${{ matrix.config.name }}
+    runs-on: ${{ matrix.config.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        config:
+        - {
+            name: "Ubuntu Qt6", artifact: "",
+            os: ubuntu-latest,
+            cc: "gcc", cxx: "g++",
+            build_type: "Release",
+            cmake_flags: "-G Ninja",
+            cpack: "",
+          }
+        - {
+            name: "Ubuntu Qt6 AppImage", artifact: "",
+            os: ubuntu-20.04,
+            cc: "gcc", cxx: "g++",
+            build_type: "Release",
+            cmake_flags: "-G Ninja -DINSTALL_BUNDLE_FILES=ON",
+            cpack: "",
+          }
+        - {
+            name: "macOS Qt6", artifact: "",
+            os: macos-latest,
+            cc: "clang", cxx: "clang++",
+            build_type: "Release",
+            cmake_flags: "-G Ninja",
+            cpack_flags: "-G DragNDrop",
+          }
+        - {
+            name: "Windows Qt6", artifact: "",
+            os: windows-latest,
+            cc: "cl", cxx: "cl",
+            build_type: "Release",
+            cmake_flags: "",
+            build_flags: "-j 2",
+            cpack_flags: "-G NSIS",
+          }
+
+    steps:
+
+    - name: Install Dependencies (Linux)
+      if: runner.os == 'Linux'
+      run: |
+        sudo apt-get -qq update
+        sudo apt-get -qq install ninja-build libeigen3-dev libboost-all-dev libglew-dev libxml2-dev
+    - name: Install Dependencies (macOS)
+      if: runner.os == 'macOS'
+      run: |
+        if uname -p | grep -q "arm" ; then
+           export PATH=/opt/homebrew/bin:$PATH
+        else # not self-hosted runner
+          brew install ninja eigen glew
+        fi
+    - name: Install Dependencies (Windows)
+      if: runner.os == 'Windows'
+      run: choco install ninja
+
+    - name: Checkout openchemistry
+      uses: actions/checkout@v3
+      with:
+        repository: openchemistry/openchemistry
+        submodules: recursive
+
+    - name: Checkout avogadroapp
+      uses: actions/checkout@v3
+      with:
+        repository: openchemistry/avogadroapp
+        path: avogadroapp
+
+    - name: Checkout avogadrolibs
+      uses: actions/checkout@v3
+      with:
+        path: avogadrolibs
+
+    - name: Install Qt
+      uses: jurplel/install-qt-action@v3
+      with:
+        cache: true
+        version: ${{ env.QT_VERSION }}
+        aqtversion: '==3.1.*'
+        modules: 'qt5compat'
+
+    - name: Configure MSVC Command Prompt
+      if: runner.os == 'Windows'
+      uses: ilammy/msvc-dev-cmd@v1
+      with:
+        arch: x64
+
+    - name: Grab cache files
+      uses: actions/cache@v3
+      if: runner.os != 'Windows'
+      with:
+        path: |
+          ${{ runner.workspace }}/build/thirdparty
+          ${{ runner.workspace }}/build/Downloads
+        key: ${{ matrix.config.name }}-thirdparty
+
+    - name: Configure
+      run: |
+        if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi
+        cd "${{ runner.workspace }}/build"
+        # won't have any effect except on Mac
+        echo "MACOSX_DEPLOYMENT_TARGET=${{ env.MACOS_TARGET }}" >> $GITHUB_ENV
+        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
+      shell: bash
+
+    - name: Build
+      run: |
+        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}}
+      shell: bash
+      working-directory: ${{ runner.workspace }}/build
+
+    - name: Run tests
+      if: matrix.config.os == 'ubuntu-latest'
+      shell: cmake -P {0}
+      run: |
+        include(ProcessorCount)
+        ProcessorCount(N)
+        set(ENV{CTEST_OUTPUT_ON_FAILURE} "ON")
+        set(ENV{ASAN_OPTIONS} "new_delete_type_mismatch=0")
+        execute_process(
+          COMMAND ctest -j ${N}
+          WORKING_DIRECTORY ${{ runner.workspace }}/build/avogadrolibs
+          RESULT_VARIABLE result
+        )
+        if (NOT result EQUAL 0)
+          message(FATAL_ERROR "Running tests failed!")
+        endif()
+
+    - name: Setup tmate session
+      if: ${{ failure() }}
+      uses: mxschmitt/action-tmate@v3

avogadro/qtgui/insertfragmentdialog.cpp

@@ -22,11 +22,11 @@
 
 #include <QtCore/QSettings>
 
+#include <QFileSystemModel>
 #include <QtCore/QDir>
 #include <QtCore/QSortFilterProxyModel>
 #include <QtCore/QStandardPaths>
 #include <QtWidgets/QFileDialog>
-#include <QtWidgets/QFileSystemModel>
 #include <QtWidgets/QMessageBox>
 
 #include <QCloseEvent>
@@ -52,8 +52,7 @@ class InsertFragmentDialog::Private
   }
 };
 
-InsertFragmentDialog::InsertFragmentDialog(QWidget* aParent, QString directory,
-                                           Qt::WindowFlags)
+InsertFragmentDialog::InsertFragmentDialog(QWidget* aParent, QString directory)
   : QDialog(aParent), m_ui(new Ui::InsertFragmentDialog),
     m_implementation(new Private)
 {
@@ -213,8 +212,8 @@ void InsertFragmentDialog::filterTextChanged(const QString& newFilter)
     return; // no dialog or proxy model to set
 
   // Allow things like "ti" to match "Ti" etc.
-  QRegExp reg(newFilter, Qt::CaseInsensitive, QRegExp::WildcardUnix);
-  m_implementation->proxy->setFilterRegExp(reg);
+  QRegularExpression reg(newFilter, QRegularExpression::CaseInsensitiveOption);
+  m_implementation->proxy->setFilterRegularExpression(reg);
 
   if (!newFilter.isEmpty()) {
     // user interface niceness -- show any file match

avogadro/qtgui/insertfragmentdialog.h

@@ -26,8 +26,7 @@ class AVOGADROQTGUI_EXPORT InsertFragmentDialog : public QDialog
 
 public:
   explicit InsertFragmentDialog(QWidget* parent = nullptr,
-                                QString directory = "molecules",
-                                Qt::WindowFlags f = 0);
+                                QString directory = "molecules");
   ~InsertFragmentDialog() override;
 
   QString fileName();

avogadro/qtgui/sortfiltertreeproxymodel.cpp

@@ -35,7 +35,8 @@ bool SortFilterTreeProxyModel::filterAcceptsRow(
     bool childOfRoot = false;
     QModelIndex parent = sourceParent;
     for (int depth = 3; depth > 0; depth--) {
-      if (sourceModel()->data(parent).toString().contains(filterRegExp()))
+      if (sourceModel()->data(parent).toString().contains(
+            filterRegularExpression()))
         return true; // a parent matches the pattern
 
       parent = parent.parent();
@@ -53,7 +54,7 @@ bool SortFilterTreeProxyModel::filterAcceptsRow(
   // else, sourceParent is a root, so we're good to filter
 
   // Check if the data for this row matches. If so, the default is to accept
-  if (data.contains(filterRegExp()))
+  if (data.contains(filterRegularExpression()))
     return true;
 
   // Now we have to check the child nodes
@@ -67,7 +68,7 @@ bool SortFilterTreeProxyModel::filterAcceptsRow(
       continue;
 
     QString rowData = sourceModel()->data(subRow).toString();
-    if (rowData.contains(filterRegExp()))
+    if (rowData.contains(filterRegularExpression()))
       return true;
   }
   return false; // nothing matched

avogadro/qtplugins/CMakeLists.txt

@@ -108,7 +108,6 @@ add_subdirectory(customelements)
 add_subdirectory(editor)
 add_subdirectory(fetchpdb)
 add_subdirectory(focus)
-add_subdirectory(forcefield)
 add_subdirectory(hydrogens)
 add_subdirectory(importpqr)
 add_subdirectory(insertdna)
@@ -141,6 +140,7 @@ if(QT_VERSION EQUAL 5)
   add_subdirectory(apbs)
   add_subdirectory(coordinateeditor)
   add_subdirectory(cp2kinput)
+  add_subdirectory(forcefield)
   add_subdirectory(gamessinput)
   add_subdirectory(insertfragment)
   add_subdirectory(molecularproperties)
@@ -191,7 +191,7 @@ if (USE_OPENGL)
 endif()
 
 # other optional plugins
-if(BUILD_GPL_PLUGINS)
+if(BUILD_GPL_PLUGINS AND QT_VERSION EQUAL 5)
   # qtaimcurvature.h/cpp contains GPL licensed code:
   add_subdirectory(qtaim)
 endif()

avogadro/qtplugins/aligntool/aligntool.cpp

@@ -21,12 +21,12 @@
 #include <avogadro/rendering/textlabel3d.h>
 #include <avogadro/rendering/textproperties.h>
 
+#include <QAction>
 #include <QtCore/QDebug>
 #include <QtGui/QIcon>
 #include <QtGui/QKeyEvent>
 #include <QtGui/QMouseEvent>
 #include <QtGui/QWheelEvent>
-#include <QtWidgets/QAction>
 #include <QtWidgets/QComboBox>
 #include <QtWidgets/QGridLayout>
 #include <QtWidgets/QHBoxLayout>

avogadro/qtplugins/forcefield/forcefield.cpp

@@ -11,7 +11,7 @@
 #include <QtCore/QDebug>
 #include <QtCore/QSettings>
 
-#include <QtWidgets/QAction>
+#include <QAction>
 #include <QtWidgets/QMessageBox>
 
 #include <QMutex>

avogadro/qtplugins/openbabel/conformersearchdialog.cpp

@@ -11,8 +11,7 @@
 
 namespace Avogadro {
 
-ConformerSearchDialog::ConformerSearchDialog(QWidget* parent, Qt::WindowFlags f)
-  : QDialog(parent, f)
+ConformerSearchDialog::ConformerSearchDialog(QWidget* parent) : QDialog(parent)
 {
   ui.setupUi(this);
 

avogadro/qtplugins/openbabel/conformersearchdialog.h

@@ -17,8 +17,8 @@ class ConformerSearchDialog : public QDialog
 
 public:
   //! Constructor
-  explicit ConformerSearchDialog(QWidget* parent = 0, Qt::WindowFlags f = 0);
-  //! Desconstructor
+  explicit ConformerSearchDialog(QWidget* parent = 0);
+  //! Deconstructor
   ~ConformerSearchDialog();
 
   int method();