sci-chemistry/avogadro2: Import from science overlay

Package-Manager: portage-2.2.26 Signed-off-by: Justin Lecher <jlec@gentoo.org>
2026-09-23 16:49:10 -07:00 · 2015-12-29 11:59:01 +01:00
parent 4c12f0b2e7
commit 1a15a5bde6
6 changed files with 281 additions and 0 deletions
--- a/sci-chemistry/avogadro2/Manifest
+++ b/sci-chemistry/avogadro2/Manifest
@@ -0,0 +1,2 @@
+DIST avogadroapp-0.7.2.tar.gz 523935 SHA256 f29db2f04aea8d9dfa0ab73bfa0c45fba18f45fba968a249f618024e8ab8fe63 SHA512 fb798931b66827b0b0e27295b528483d258e15612dba729219874b6171be3e981bd18337add41eb93613d90653286d8d8aa0dbe5fb11577c5ee22ba25b65443b WHIRLPOOL bce0a6c8e0e10bedb332b68c08935ecaf2abe8fbc53cfb7eb53f206da89014f99e0f9ccd95c2ad6c876bb97090939b0807e0d10c7e62f58ebb3a3cc3254fd2a6
+DIST avogadroapp-0.8.0.tar.gz 1105596 SHA256 d79840f0395c11c2081262ba9c1bc6d944c089bac162b434b94a3080bc90c221 SHA512 cc8c6c1620f603b3ed48a45c13968dc451382d3c3947b743fc65c547d6af92ae1f7f1764ffba84e602a2b54a5be075473e58cb49b8061b9e41b728eadba1a5de WHIRLPOOL dc04714b0f830bf826b5253ceb1738500f48aed5e1c922bd2096d2273c88264bbcf27a796418eec80c4483c5905d6c46e8ad4af22e011ab1b451c70d0c087a38
--- a/sci-chemistry/avogadro2/avogadro2-0.7.2.ebuild
+++ b/sci-chemistry/avogadro2/avogadro2-0.7.2.ebuild
@@ -0,0 +1,48 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+inherit cmake-utils
+
+MY_PN=avogadroapp
+MY_P=${MY_PN}-${PV}
+
+DESCRIPTION="Advanced molecule editor and visualizer 2"
+HOMEPAGE="http://www.openchemistry.org/"
+SRC_URI="mirror://sourceforge/project/avogadro/avogadro2/${PV}/${MY_P}.tar.gz"
+
+SLOT="0"
+LICENSE="BSD GPL-2+"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="doc rpc test"
+
+RDEPEND="
+	>=dev-cpp/eigen-3.2.0-r1
+	dev-qt/qtcore:4
+	dev-qt/qtgui:4
+	dev-qt/qtopengl:4
+	~sci-libs/avogadrolibs-${PV}[qt4,opengl]
+	sci-libs/hdf5
+	rpc? ( sci-chemistry/molequeue )
+"
+DEPEND="${DEPEND}"
+
+RESTRICT=test
+
+S="${WORKDIR}"/${MY_P}
+
+src_prepare() {
+	sed '/COPYING/d' -i CMakeLists.txt || die
+	cmake-utils_src_prepare
+}
+
+src_configure() {
+	local mycmakeargs=(
+		$(cmake-utils_use_build doc DOCUMENTATION)
+		$(cmake-utils_use rpc Avogadro_ENABLE_RPC)
+		$(cmake-utils_use_enable test TESTING)
+		)
+	cmake-utils_src_configure
+}
--- a/sci-chemistry/avogadro2/avogadro2-0.8.0.ebuild
+++ b/sci-chemistry/avogadro2/avogadro2-0.8.0.ebuild
@@ -0,0 +1,58 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+inherit cmake-utils
+
+MY_PN=avogadroapp
+MY_P=${MY_PN}-${PV}
+
+DESCRIPTION="Advanced molecule editor and visualizer 2"
+HOMEPAGE="http://www.openchemistry.org/"
+SRC_URI="mirror://sourceforge/project/avogadro/avogadro2/${PV}/${MY_P}.tar.gz"
+
+SLOT="0"
+LICENSE="BSD GPL-2+"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="doc rpc test vtk"
+
+RDEPEND="
+	dev-qt/qtconcurrent:5
+	dev-qt/qtcore:5
+	dev-qt/qtgui:5
+	dev-qt/qtnetwork:5
+	dev-qt/qtopengl:5
+	dev-qt/qtwidgets:5
+	~sci-libs/avogadrolibs-${PV}[qt5,opengl]
+	sci-libs/hdf5
+	rpc? ( sci-chemistry/molequeue )
+"
+DEPEND="${DEPEND}
+	>=dev-cpp/eigen-3.2.0-r1
+	test? ( dev-qt/qttest:5 )"
+
+RESTRICT=test
+
+S="${WORKDIR}"/${MY_P}
+
+PATCHES=(
+	"${FILESDIR}"/${P}-desktop.patch
+	"${FILESDIR}"/${P}-vtk.patch
+)
+
+src_prepare() {
+	sed '/COPYING/d' -i CMakeLists.txt || die
+	cmake-utils_src_prepare
+}
+
+src_configure() {
+	local mycmakeargs=(
+		$(cmake-utils_use_build doc DOCUMENTATION)
+		$(cmake-utils_use rpc Avogadro_ENABLE_RPC)
+		$(cmake-utils_use_enable test TESTING)
+		$(cmake-utils_use_use vtk)
+		)
+	cmake-utils_src_configure
+}
--- a/sci-chemistry/avogadro2/files/avogadro2-0.8.0-desktop.patch
+++ b/sci-chemistry/avogadro2/files/avogadro2-0.8.0-desktop.patch
@@ -0,0 +1,16 @@
+ avogadro/icons/avogadro2.desktop | 4 ++--
+ 1 file changed, 2 insertions(+), 2 deletions(-)
+
+diff --git a/avogadro/icons/avogadro2.desktop b/avogadro/icons/avogadro2.desktop
+index 940a21b..a88c5fb 100644
+--- a/avogadro/icons/avogadro2.desktop
+++ b/avogadro/icons/avogadro2.desktop
+@@ -6,6 +6,6 @@ Exec=avogadro2 %f
+ Icon=avogadro2
+ Terminal=false
+ Type=Application
+-Categories=Qt;Science;Chemistry;Physics;Education;
+Categories=Qt;Science;Chemistry;Physics;
+ StartupNotify=true
+-MimeType=chemical/x-cml;chemical/x-xyz
+MimeType=chemical/x-cml;chemical/x-xyz;
--- a/sci-chemistry/avogadro2/files/avogadro2-0.8.0-vtk.patch
+++ b/sci-chemistry/avogadro2/files/avogadro2-0.8.0-vtk.patch
@@ -0,0 +1,142 @@
+commit 23a9474aad8eba503bcfe54584fd7cad106bda17
+Author: Marcus D. Hanwell <marcus.hanwell@kitware.com>
+Date:   Mon Sep 21 12:03:07 2015 -0400
+
+    Made VTK truly optional for Avogadro application
+
+diff --git a/avogadro/CMakeLists.txt b/avogadro/CMakeLists.txt
+index 90534ea..24bdd46 100644
+--- a/avogadro/CMakeLists.txt
+++ b/avogadro/CMakeLists.txt
+@@ -8,6 +8,7 @@ option(USE_VTK "Build with VTK support" OFF)
+ if(USE_VTK)
+   find_package(VTK COMPONENTS vtkGUISupportQt vtkRenderingOpenGL REQUIRED)
+   include(${VTK_USE_FILE})
+  add_definitions(-DAVO_USE_VTK)
+ endif()
+ 
+ if(MSVC)
+diff --git a/avogadro/mainwindow.cpp b/avogadro/mainwindow.cpp
+index a1c09e8..8fe3038 100644
+--- a/avogadro/mainwindow.cpp
+++ b/avogadro/mainwindow.cpp
+@@ -81,7 +81,9 @@
+ # include <molequeue/client/client.h>
+ #endif // Avogadro_ENABLE_RPC
+ 
+-#include <avogadro/vtk/vtkglwidget.h>
+#ifdef AVO_USE_VTK
+# include <avogadro/vtk/vtkglwidget.h>
+#endif
+ 
+ namespace Avogadro {
+ 
+@@ -198,8 +200,10 @@ using QtGui::ToolPluginFactory;
+ using QtGui::ExtensionPlugin;
+ using QtGui::ExtensionPluginFactory;
+ using QtOpenGL::GLWidget;
+-using VTK::vtkGLWidget;
+ using QtPlugins::PluginManager;
+#ifdef AVO_USE_VTK
+using VTK::vtkGLWidget;
+#endif
+ 
+ MainWindow::MainWindow(const QStringList &fileNames, bool disableSettings)
+   : m_molecule(NULL),
+@@ -434,9 +438,11 @@ void MainWindow::setMolecule(Molecule *mol)
+   if (GLWidget *glWidget = qobject_cast<QtOpenGL::GLWidget *>(w)) {
+     setWidgetMolecule(glWidget, mol);
+   }
+#ifdef AVO_USE_VTK
+   else if (vtkGLWidget *vtkWidget = qobject_cast<vtkGLWidget *>(w)) {
+     setWidgetMolecule(vtkWidget, mol);
+   }
+#endif
+ }
+ 
+ void MainWindow::markMoleculeDirty()
+@@ -831,6 +837,7 @@ void MainWindow::viewActivated(QWidget *widget)
+       m_moleculeModel->setActiveMolecule(m_molecule);
+     }
+   }
+#ifdef AVO_USE_VTK
+   else if (vtkGLWidget *vtkWidget = qobject_cast<vtkGLWidget*>(widget)) {
+     bool firstRun = populatePluginModel(vtkWidget->sceneModel());
+     m_sceneTreeView->setModel(&vtkWidget->sceneModel());
+@@ -851,6 +858,7 @@ void MainWindow::viewActivated(QWidget *widget)
+       m_moleculeModel->setActiveMolecule(m_molecule);
+     }
+   }
+#endif
+   updateWindowTitle();
+   activeMoleculeEdited();
+ }
+@@ -1194,14 +1202,18 @@ void MainWindow::setActiveDisplayTypes(QStringList displayTypes)
+ {
+   ScenePluginModel *scenePluginModel(NULL);
+   GLWidget *glWidget(NULL);
+#ifdef AVO_USE_VTK
+   VTK::vtkGLWidget *vtkWidget(NULL);
+#endif
+   if ((glWidget = qobject_cast<GLWidget *>(m_multiViewWidget->activeWidget()))) {
+     scenePluginModel = &glWidget->sceneModel();
+   }
+#ifdef AVO_USE_VTK
+   else if ((vtkWidget =
+            qobject_cast<VTK::vtkGLWidget *>(m_multiViewWidget->activeWidget()))) {
+     scenePluginModel = &vtkWidget->sceneModel();
+   }
+#endif
+ 
+   foreach (ScenePlugin *scene, scenePluginModel->scenePlugins())
+     scene->setEnabled(false);
+@@ -1211,8 +1223,10 @@ void MainWindow::setActiveDisplayTypes(QStringList displayTypes)
+         scene->setEnabled(true);
+   if (glWidget)
+     glWidget->updateScene();
+#ifdef AVO_USE_VTK
+   else if (vtkWidget)
+     vtkWidget->updateScene();
+#endif
+ }
+ 
+ void MainWindow::undoEdit()
+diff --git a/avogadro/viewfactory.cpp b/avogadro/viewfactory.cpp
+index 28009be..15c6a44 100644
+--- a/avogadro/viewfactory.cpp
+++ b/avogadro/viewfactory.cpp
+@@ -17,7 +17,9 @@
+ #include "viewfactory.h"
+ 
+ #include <avogadro/qtopengl/glwidget.h>
+-#include <avogadro/vtk/vtkglwidget.h>
+#ifdef AVO_USE_VTK
+# include <avogadro/vtk/vtkglwidget.h>
+#endif
+ 
+ namespace Avogadro {
+ 
+@@ -31,15 +33,22 @@ ViewFactory::~ViewFactory()
+ 
+ QStringList ViewFactory::views() const
+ {
+-  return QStringList() << "3D View" << "VTK";
+  QStringList views;
+  views << "3D View";
+#ifdef AVO_USE_VTK
+  views << "VTK";
+#endif
+  return views;
+ }
+ 
+ QWidget * ViewFactory::createView(const QString &view)
+ {
+   if (view == "3D View")
+     return new QtOpenGL::GLWidget;
+#ifdef AVO_USE_VTK
+   else if (view == "VTK")
+     return new VTK::vtkGLWidget;
+#endif
+   return NULL;
+ }
+ 
--- a/sci-chemistry/avogadro2/metadata.xml
+++ b/sci-chemistry/avogadro2/metadata.xml
@@ -0,0 +1,15 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+  <herd>sci-chemistry</herd>
+  <maintainer>
+    <email>jlec@gentoo.org</email>
+  </maintainer>
+  <use>
+    <flag name="rpc">Enable RPC server</flag>
+    <flag name="vtk">include vtk support</flag>
+  </use>
+  <upstream>
+    <remote-id type="sourceforge">avogadro</remote-id>
+  </upstream>
+</pkgmetadata>