Merge pull request #1562 from ghutchis/conda-environments

Add support for first launch dialog and conda environments
OpenChemistry · Jan 4, 2024 · 5289da4 · 5289da4
2 parents 28b8800 + cb302d4
commit 5289da4
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Showing 8 changed files with 398 additions and 18 deletions.
diff --git a/avogadro/qtplugins/configurepython/CMakeLists.txt b/avogadro/qtplugins/configurepython/CMakeLists.txt
@@ -3,6 +3,6 @@ avogadro_plugin(ConfigurePython
   ExtensionPlugin
   configurepython.h
   ConfigurePython
-  "configurepython.cpp;configurepythondialog.cpp"
-  "configurepythondialog.ui"
+  "condadialog.cpp;configurepython.cpp;configurepythondialog.cpp"
+  "condadialog.ui;configurepythondialog.ui"
 )
diff --git a/avogadro/qtplugins/configurepython/condadialog.cpp b/avogadro/qtplugins/configurepython/condadialog.cpp
@@ -0,0 +1,27 @@
+/******************************************************************************
+  This source file is part of the Avogadro project.
+  This source code is released under the 3-Clause BSD License, (see "LICENSE").
+******************************************************************************/
+
+#include "condadialog.h"
+#include "ui_condadialog.h"
+
+namespace Avogadro::QtPlugins {
+
+CondaDialog::CondaDialog(QWidget* aParent)
+  : QDialog(aParent), m_ui(new Ui::CondaDialog)
+{
+  m_ui->setupUi(this);
+}
+
+CondaDialog::~CondaDialog()
+{
+  delete m_ui;
+}
+
+QString CondaDialog::environmentName() const
+{
+  return m_ui->environmentName->text();
+}
+
+} // namespace Avogadro::QtPlugins
diff --git a/avogadro/qtplugins/configurepython/condadialog.h b/avogadro/qtplugins/configurepython/condadialog.h
@@ -0,0 +1,38 @@
+/******************************************************************************
+  This source file is part of the Avogadro project.
+  This source code is released under the 3-Clause BSD License, (see "LICENSE").
+******************************************************************************/
+
+#ifndef AVOGADRO_QTPLUGINS_CONDADIALOG_H
+#define AVOGADRO_QTPLUGINS_CONDADIALOG_H
+
+#include <QtWidgets/QDialog>
+
+namespace Avogadro {
+namespace QtPlugins {
+
+namespace Ui {
+class CondaDialog;
+}
+
+/**
+ * @brief Dialog to prompt a format and descriptor string.
+ */
+class CondaDialog : public QDialog
+{
+  Q_OBJECT
+
+public:
+  explicit CondaDialog(QWidget* parent = nullptr);
+  ~CondaDialog() override;
+
+  QString environmentName() const;
+
+private:
+  Ui::CondaDialog* m_ui;
+};
+
+} // namespace QtPlugins
+} // namespace Avogadro
+
+#endif // AVOGADRO_QTPLUGINS_CONDADIALOG_H
diff --git a/avogadro/qtplugins/configurepython/condadialog.ui b/avogadro/qtplugins/configurepython/condadialog.ui
@@ -0,0 +1,111 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<ui version="4.0">
+ <class>Avogadro::QtPlugins::CondaDialog</class>
+ <widget class="QDialog" name="Avogadro::QtPlugins::CondaDialog">
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>376</width>
+    <height>169</height>
+   </rect>
+  </property>
+  <property name="sizePolicy">
+   <sizepolicy hsizetype="Preferred" vsizetype="Minimum">
+    <horstretch>0</horstretch>
+    <verstretch>0</verstretch>
+   </sizepolicy>
+  </property>
+  <property name="windowTitle">
+   <string>Python Settings…</string>
+  </property>
+  <layout class="QVBoxLayout" name="verticalLayout_2">
+   <item>
+    <widget class="QLabel" name="textLabel">
+     <property name="text">
+      <string>Only the “base” conda environment exists.
+Would you like to create a new environment for Avogadro?
+This will make a copy of your base environment.
+</string>
+     </property>
+    </widget>
+   </item>
+   <item>
+    <layout class="QHBoxLayout" name="horizontalLayout">
+     <item>
+      <widget class="QLabel" name="label">
+       <property name="text">
+        <string>Environment name:</string>
+       </property>
+      </widget>
+     </item>
+     <item>
+      <widget class="QLineEdit" name="environmentName">
+       <property name="placeholderText">
+        <string>avogadro</string>
+       </property>
+      </widget>
+     </item>
+    </layout>
+   </item>
+   <item>
+    <spacer name="verticalSpacer">
+     <property name="orientation">
+      <enum>Qt::Vertical</enum>
+     </property>
+     <property name="sizeHint" stdset="0">
+      <size>
+       <width>20</width>
+       <height>0</height>
+      </size>
+     </property>
+    </spacer>
+   </item>
+   <item>
+    <widget class="QDialogButtonBox" name="buttonBox">
+     <property name="orientation">
+      <enum>Qt::Horizontal</enum>
+     </property>
+     <property name="standardButtons">
+      <set>QDialogButtonBox::Cancel|QDialogButtonBox::Ok</set>
+     </property>
+    </widget>
+   </item>
+  </layout>
+ </widget>
+ <resources/>
+ <connections>
+  <connection>
+   <sender>buttonBox</sender>
+   <signal>accepted()</signal>
+   <receiver>Avogadro::QtPlugins::CondaDialog</receiver>
+   <slot>accept()</slot>
+   <hints>
+    <hint type="sourcelabel">
+     <x>187</x>
+     <y>148</y>
+    </hint>
+    <hint type="destinationlabel">
+     <x>187</x>
+     <y>84</y>
+    </hint>
+   </hints>
+  </connection>
+  <connection>
+   <sender>buttonBox</sender>
+   <signal>rejected()</signal>
+   <receiver>Avogadro::QtPlugins::CondaDialog</receiver>
+   <slot>reject()</slot>
+   <hints>
+    <hint type="sourcelabel">
+     <x>187</x>
+     <y>148</y>
+    </hint>
+    <hint type="destinationlabel">
+     <x>187</x>
+     <y>84</y>
+    </hint>
+   </hints>
+  </connection>
+ </connections>
+</ui>
diff --git a/avogadro/qtplugins/configurepython/configurepython.cpp b/avogadro/qtplugins/configurepython/configurepython.cpp
@@ -14,6 +14,10 @@
 #include <QAction>
 #include <QtCore/QDebug>
 #include <QtCore/QSettings>
+#include <QtCore/QSysInfo>
+#include <QtCore/QUrl>
+#include <QtGui/QDesktopServices>
+#include <QtWidgets/QMessageBox>
 
 namespace Avogadro::QtPlugins {
 
@@ -28,6 +32,56 @@ ConfigurePython::ConfigurePython(QObject* parent_)
   m_action->setText(tr("Python Settings…"));
   m_action->setProperty("menu priority", 510);
   connect(m_action, SIGNAL(triggered()), SLOT(showDialog()));
+
+  // check for Python on first launch
+  QStringList paths = pythonPaths();
+  QSettings settings;
+
+  if (paths.isEmpty()) { // show a warning
+    if (settings.contains("interpreters/firstlaunch"))
+      return; // the user ignored the warning
+
+    // suggest the user install Python
+    auto option = QMessageBox::information(
+      qobject_cast<QWidget*>(parent()), tr("Install Python"),
+      tr("Python is used for many Avogadro "
+         "features. Do you want to download Python?"));
+    if (option == QMessageBox::Yes) {
+      //
+      QUrl miniforge;
+#ifdef Q_OS_WIN
+      // TODO: ARM or Intel? .. but conda-forge doesn't have ARM builds yet
+      miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/"
+                       "latest/download/Miniforge3-Windows-x86_64.exe");
+#elif defined(Q_OS_MACOS)
+      // ARM or Intel?
+      if (QSysInfo::currentCpuArchitecture().contains("arm"))
+        miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/"
+                         "latest/download/Miniforge3-MacOSX-arm64.sh");
+      else
+        miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/"
+                         "latest/download/Miniforge3-MacOSX-x86_64.sh");
+#else
+      QString arch = QSysInfo::currentCpuArchitecture();
+      if (arch.contains("arm"))
+        miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/"
+                         "latest/download/Miniforge3-Linux-aarch64.sh");
+      else if (arch.contains("ppc"))
+        miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/"
+                         "latest/download/Miniforge3-Linux-ppc64le.sh");
+      else
+        miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/"
+                         "latest/download/Miniforge3-Linux-x86_64.sh");
+#endif
+      if (miniforge.isValid()) {
+        QDesktopServices::openUrl(miniforge);
+        // open install instructions
+        QDesktopServices::openUrl(QUrl("https://github.com/conda-forge/"
+                                       "miniforge?tab=readme-ov-file#install"));
+      }
+    }
+    settings.setValue("interpreters/firstlaunch", true);
+  }
 }
 
 ConfigurePython::~ConfigurePython()
@@ -54,21 +108,22 @@ void ConfigurePython::accept()
   QSettings settings;
   settings.setValue("interpreters/python", m_dialog->currentOption());
 
+  // check if the dialog has a conda environment selected
+  if (!m_dialog->condaEnvironment().isEmpty()) {
+    settings.setValue("interpreters/condaEnvironment",
+                      m_dialog->condaEnvironment());
+    // get the path to conda
+    QString condaPath = m_dialog->condaPath();
+    if (!condaPath.isEmpty()) {
+      settings.setValue("interpreters/condaPath", condaPath);
+    }
+  }
+
   // TODO: reload the python interpreters
 }
 
-void ConfigurePython::showDialog()
+QStringList ConfigurePython::pythonPaths() const
 {
-  if (m_dialog == nullptr) {
-    m_dialog = new ConfigurePythonDialog(qobject_cast<QWidget*>(parent()));
-    connect(m_dialog, SIGNAL(accepted()), SLOT(accept()));
-  }
-
-  // Populate the dialog with the current settings
-  // TODO:
-  // - check for conda environments
-  // - get versions for each interpreter
-
   // Check for python interpreter in env var
   QString pythonInterp =
     QString::fromLocal8Bit(qgetenv("AVO_PYTHON_INTERPRETER"));
@@ -91,11 +146,24 @@ void ConfigurePython::showDialog()
         << "python";
 #endif
 
-  QStringList pythonInterps = findExecutablePaths(names);
+  QStringList paths = findExecutablePaths(names);
 
   // Add the current interpreter to the list if it's not already there.
-  if (!pythonInterps.contains(pythonInterp))
-    pythonInterps.prepend(pythonInterp);
+  if (!paths.contains(pythonInterp))
+    paths.prepend(pythonInterp);
+
+  return paths;
+}
+
+void ConfigurePython::showDialog()
+{
+  if (m_dialog == nullptr) {
+    m_dialog = new ConfigurePythonDialog(qobject_cast<QWidget*>(parent()));
+    connect(m_dialog, SIGNAL(accepted()), SLOT(accept()));
+  }
+
+  // Populate the dialog with the current settings
+  QStringList pythonInterps = pythonPaths();
 
   m_dialog->setOptions(pythonInterps);
   m_dialog->show();

diff --git a/avogadro/qtplugins/configurepython/configurepython.h b/avogadro/qtplugins/configurepython/configurepython.h
@@ -31,6 +31,8 @@ class ConfigurePython : public QtGui::ExtensionPlugin
   QList<QAction*> actions() const override;
   QStringList menuPath(QAction*) const override;
 
+  QStringList pythonPaths() const;
+
   void setMolecule(QtGui::Molecule*) override {}
 
 private slots: