From Avogadro

Linux

These steps are designed to allow you build Avogadro without having to install ('make install')the dependencies. For the purposes of this example we check out all entries to $HOME/svn.

Setting up the Environment

These environment variables allow us to direct Avogadro and OpenBabel to use special directories for runtime plugin loading.

Avogadro Engines

export AVOGADRO_ENGINES=$HOME/svn/avogadro/build/libavogadro/src/engines

Avogadro Tools

export AVOGADRO_TOOLS=$HOME/svn/avogadro/build/libavogadro/src/tools

Avogadro Extensions

export AVOGADRO_EXTENSIONS=$HOME/svn/avogadro/build/libavogadro/src/extensions

Openbabel Formats

export BABEL_LIBDIR=$HOME/svn/openbabel/src/formats/.libs:$HOME/svn/openbabel/src/formats/xml/.libs

Openbabel Data Files

export BABEL_DATADIR=$HOME/svn/openbabel/data

Dependencies

Subversion

CMake (>=2.4.8)

Qt4 (>=4.3.4)

Eigen

OpenBabel

Building Openbabel

This will build the TRUNK version of OpenBabel and allow you to use OpenBabel from the build directory rather than having to install it.

cd $HOME/svn
svn co https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/trunk openbabel
cd openbabel
./configure 
make

Building Avogadro

cd $HOME/svn
svn co https://avogadro.svn.sourceforge.net/svnroot/avogadro/trunk avogadro
cd avogadro
mkdir build
cd build
cmake \
-DOPENBABEL2_INCLUDE_DIR=$HOME/svn/openbabel/include \
-DOPENBABEL2_LIBRARIES=$HOME/svn/openbabel/src/.libs/libopenbabel.so \
-DOPENBABEL2_VERSION_MET=true ..
make

Running

$HOME/svn/avogadro/build/avogadro/src/avogadro

Windows Visual Studio 2005

Dependencies

TortoiseSVN (SVN for Windows)

CMake (>=2.4.8)

Qt4 (>=4.3.4)

Eigen

OpenBabel

Building Qt4

Follow the instructions for Qt4 with Visual Studio. Extract and build Qt4 in the c:\qt\<version> directory (eg. c:\qt\4.3.2 for version 4.3.2).

Building Eigen

1. Checkout Eigen trunk svn://anonsvn.kde.org/home/kde/trunk/kdesupport/eigen to the c:\eigen directory.
2. Open the Visual Studio 2005 Command Prompt.
3. Create the Eigen vs2005 solution:

   cd c:\eigen

   mkdir build

   cd build

   cmake -G "Visual Studio 8 2005" -DCMAKE_INSTALL_PREFIX=c:\eigen ..

4. Open the Eigen vs2005 solution c:\eigen\build\eigen.sln
5. Build the INSTALL target explicitly.

You should now have the Eigen headers in c:\eigen\include\eigen

Building OpenBabel

1. Checkout OpenBabel trunk https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/trunk to the c:\openbabel directory.
2. Open the OpenBabel vs2005 solution c:\openbabel\windows-vc2005\openbabelOBF.sln
3. Build all the targets except FastSearch, OBConsole, OBCSharp, OBGUI, OBJava and OBPythonOBF (grab some coffee this can take a while).

Building Avogadro

1. Checkout Avogadro trunk https://avogadro.svn.sourceforge.net/svnroot/avogadro/trunk to the c:\avogadro directory.
2. Open the Visual Studio 2005 Command Prompt.
3. Create the Avogadro vs2005 solution:

   set PATH=%PATH%;c:\qt4\<version>\bin

   cd c:\avogadro

   mkdir build

   cd build

   ..\scripts\cmake-vs2005.bat

4. Select the Release solution configuration.
5. Open the Avogadro vs2005 solution c:\avogadro\build\avogadro.sln
6. Add obconv.lib to the Additional Dependencies of the avogadro-app target (Right click->Properties->Linker->Input)
7. Add obconv.lib to the Additional Dependencies of the animationextension target
8. Add obfprt.lib oberror.lib to the Additional Dependencies of the autoopttool target
9. Add obfprt.lib obconv.lib to the Additional Dependencies of the drawtool target
10. Add obfprt.lib oberror.lib to the Additional Dependencies of the forcefieldextension target
11. Add obconv.lib to the Additional Dependencies of the gamessextension target
12. Select all the targets except: ALL_BUILD, avogadro-app, INSTALL, uninstall, update-translations, ZERO_CHECK.
13. Disabled Embed Manifest (Right Click->Properties->Manifest Tool->Input and Output, set Embed Manifest to No, Click OK). Embed Manifest causes plugins to no properly load on older versions of Windows.
14. Build the Solution

Running Avogadro

Currently this is tricky. I have not found an easy way to make this work real nice. The problem is that all the DLLs (and OpenBabel's .obf files) are all over the place and I'm not good enough at vs2005 to know how to specify these additional paths. The way I do it is by copying all the dll files to the c:\avogadro\build\avogadro\src\release directory and run avogadro.exe from there.

Building the Installer

Requires NSIS (nullsoft scriptable install system)

1. Place all files (including plugins, dependencies [Qt4 | OpenBabel], etc.) in scripts\installer\dist
2. Right Click setup.nsi and choose Compile NSIS Script

This will create the AvogadroSetup.exe file.