Add a "create a new conda" dialog

Signed-off-by: Geoff Hutchison <[email protected]>

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"
 )

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

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

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>

avogadro/qtplugins/configurepython/configurepython.cpp

@@ -17,6 +17,7 @@
 #include <QtCore/QSysInfo>
 #include <QtCore/QUrl>
 #include <QtGui/QDesktopServices>
+#include <QtWidgets/QMessageBox>
 
 namespace Avogadro::QtPlugins {
 
@@ -75,7 +76,7 @@ ConfigurePython::ConfigurePython(QObject* parent_)
       if (miniforge.isValid()) {
         QDesktopServices::openUrl(miniforge);
         // open install instructions
-        QDesktopServices::openURL(QUrl("https://github.com/conda-forge/"
+        QDesktopServices::openUrl(QUrl("https://github.com/conda-forge/"
                                        "miniforge?tab=readme-ov-file#install"));
       }
     }

avogadro/qtplugins/configurepython/configurepythondialog.cpp

@@ -4,14 +4,19 @@
 ******************************************************************************/
 
 #include "configurepythondialog.h"
+#include "condadialog.h"
+
 #include "ui_configurepythondialog.h"
 
+#include <QDebug>
+#include <QFileInfo>
 #include <QtCore/QProcess>
+#include <QtCore/QSettings>
 
 namespace Avogadro::QtPlugins {
 
 ConfigurePythonDialog::ConfigurePythonDialog(QWidget* aParent)
-  : QDialog(aParent), m_ui(new Ui::ConfigurePythonDialog)
+  : QDialog(aParent), m_ui(new Ui::ConfigurePythonDialog), m_condaUi(nullptr)
 {
   m_ui->setupUi(this);
   m_ui->browseWidget->hide();
@@ -63,8 +68,16 @@ ConfigurePythonDialog::~ConfigurePythonDialog()
 void ConfigurePythonDialog::setupCondaEnvironment()
 {
   // suggest the user create a new environment through a dialog
+  if (m_condaUi == nullptr) {
+    m_condaUi = new CondaDialog(qobject_cast<QWidget*>(parent()));
+  }
+  int choice = m_condaUi->exec();
+  if (choice == QDialog::Rejected)
+    return;
 
-  QString newEnvironment;
+  QString newEnvironment = m_condaUi->environmentName();
+  if (newEnvironment.isEmpty())
+    return;
 
   // create the environment
   QProcess condaProcess;
@@ -80,23 +93,40 @@ void ConfigurePythonDialog::setupCondaEnvironment()
             << "-n" << newEnvironment << "--clone"
             << "base";
   condaProcess.start(condaPath, arguments);
+  if (condaProcess.waitForFinished()) {
+    QString output = condaProcess.readAllStandardOutput();
+    if (output.contains("done")) {
+      // environment created
+      m_condaEnvironments << newEnvironment;
+      settings.setValue("interpreters/condaEnvironment", newEnvironment);
+    }
+  }
 }
 
-void ConfigurePythonDialog::condaPath() const
+QString ConfigurePythonDialog::condaPath() const
 {
   QSettings settings;
-  return settings.value("interpreters/condaPath").toString();
+  QString path = settings.value("interpreters/condaPath").toString();
+  return path;
 }
 
-void ConfigurePythonDialog::condaEnvironment() const
+QString ConfigurePythonDialog::condaEnvironment() const
 {
-  return "";
+  QSettings settings;
+  QString environment =
+    settings.value("interpreters/condaEnvironment").toString();
+  return environment;
 }
 
 void ConfigurePythonDialog::setOptions(const QStringList& options)
 {
   m_ui->environmentCombo->clear();
 
+  // add all conda environments
+  foreach (const QString& environment, m_condaEnvironments) {
+    m_ui->environmentCombo->addItem(QString("%1 (conda)").arg(environment));
+  }
+
   // get the Python version from each interpreter
   QStringList versions, arguments;
   QProcess process;
@@ -117,7 +147,7 @@ void ConfigurePythonDialog::setOptions(const QStringList& options)
 
   for (int i = 0; i < options.size(); ++i) {
     m_ui->environmentCombo->addItem(
-      QString("Python %1 (%2)").arg(versions.at(i)).arg(options.at(i)));
+      QString("%1 (%2)").arg(options.at(i)).arg(versions.at(i)));
   }
 
   m_ui->environmentCombo->addItem(tr("Other…"));
@@ -143,8 +173,38 @@ QString ConfigurePythonDialog::currentOption() const
     return m_ui->browseWidget->fileName();
 
   QString path = m_ui->environmentCombo->currentText();
+  // check if this is a conda choice
+  int index = path.indexOf(" (conda)");
+  if (index >= 0) {
+    // get the environment name
+    QString environment = path.left(index);
+    QSettings settings;
+    settings.setValue("interpreters/condaEnvironment", environment);
+
+    // activate the environment and get the path to the python interpreter
+    QProcess condaProcess;
+    QString condaPath =
+      settings.value("interpreters/condaPath", "conda").toString();
+    // check if conda is executable
+    if (!QFileInfo(condaPath).isExecutable())
+      return QString();
+    condaProcess.start(condaPath, QStringList()
+                                    << "run"
+                                    << "-n" << environment << "which"
+                                    << "python");
+    if (condaProcess.waitForFinished()) {
+      QString output = condaProcess.readAllStandardOutput();
+      qDebug() << " output: " << output << "\n";
+      if (output.contains("python")) {
+        // remove the newline
+        output.remove("\n");
+        return output;
+      }
+    }
+  }
+
   // remove the Python version to get the path
-  int index = path.indexOf(" (");
+  index = path.indexOf(" (");
   if (index >= 0)
     return path.left(index);
 

avogadro/qtplugins/configurepython/configurepythondialog.h

@@ -11,6 +11,8 @@
 namespace Avogadro {
 namespace QtPlugins {
 
+class CondaDialog;
+
 namespace Ui {
 class ConfigurePythonDialog;
 }
@@ -46,6 +48,7 @@ protected slots:
 
 private:
   Ui::ConfigurePythonDialog* m_ui;
+  CondaDialog* m_condaUi;
   QStringList m_condaEnvironments;
 };