Difference between revisions of "Compiling on Linux and Mac OS X"

Revision as of 15:50, 26 December 2008

These instructions are inteded to help users to build Avogadro from the latest code. Be aware that Avogadro may fail to build or work properly at any given time when built using the instructions below.
For the adventurous, there are also Windows Visual Studio 2008 instructions that may or may not work.

Generally, users should first try the binary installers or packages available on the download page, made using a released version of Avogadro.

Dependencies

Subversion

Git

CMake (>=2.4.7)

Qt4 (>=4.4.0)

Eigen (>=2.0_beta3)

OpenBabel (>=2.2.0)

It is likely that Subversion, Git, CMake and Qt4 will be available from your distribution's repositories, or in binary form on the Mac.

Method A: Install Avogadro for all users

Installing Eigen

svn co svn://anonsvn.kde.org/home/kde/trunk/kdesupport/eigen2
cd eigen2
mkdir build
cd build
cmake ..
sudo make install

Building Open Babel

Avogadro makes heavy use of code and features from the Open Babel chemistry toolbox. To ensure you have the latest Open Babel code you should build it from the code repository. It is sufficient to use OpenBabel 2.2.0 or more recent:

svn co https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/branches/openbabel-2-2-x openbabel-2.2
cd openbabel
./configure 
make
make install # must be run as root or with sudo

Building Avogadro

Avogadro's version control system is now Git, with hosting provided by GitHub. If you would rather not install Git it is possible to download a tar or zip file containing the latest sources from here by clicking on the download link. Generally you will want to clone the git repository,

git clone git://github.com/cryos/avogadro.git
cd avogadro
mkdir build
cd build
cmake ..
make -j3
sudo make install

Running

avogadro

On Mac OS X Avogadro will be in your Applications folder.

Method B: Install Avogadro into your home diretory

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/src.

Setting up the Environment

By setting these environment variables Avogadro and OpenBabel will use special directories for runtime plugin loading. Avogadro will search the subdirectories colors, engines, extensions and tools for suitable plugins. The environment variable can point to multiple directories separated by colons, i.e. "$HOME/.avogadro/plugins:/usr/local/lib/avogadro".

Avogadro Plugins

export AVOGADRO_PLUGINS=$HOME/build/avogadro/libavogadro/src

Openbabel Formats

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

Openbabel Data Files

export BABEL_DATADIR=$HOME/src/openbabel/data

Installing Eigen

cd $HOME/src
svn co svn://anonsvn.kde.org/home/kde/trunk/kdesupport/eigen2 eigen2
cd eigen2
mkdir $HOME/build/eigen2
cd $HOME/build/eigen2
cmake $HOME/src/eigen2
make -j3

Building Openbabel

This will build the relatively stable 2.2 branch of OpenBabel and allow you to use OpenBabel from the build directory rather than having to install it.

cd $HOME/src
svn co https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/branches/openbabel-2-2-x openbabel-2.2
#svn co https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/trunk openbabel # You could also use the trunk, but trunk is quite unstable and not necessary at the moment
cd openbabel-2.2
./configure 
make -j3

Building Avogadro

cd $HOME/src
git clone git://github.com/cryos/avogadro.git
mkdir $HOME/build/avogadro
cd $HOME/build/avogadro
cmake \
-DOPENBABEL2_INCLUDE_DIR=$HOME/svn/openbabel/include \
-DOPENBABEL2_LIBRARIES=$HOME/svn/openbabel/src/.libs/libopenbabel.so \
-DOPENBABEL2_VERSION_MET=true $HOME/src/avogadro
make -j3

Running

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