Sunday, April 7, 2013

Building the OpenChemistry Packages on Ubuntu 12.04

Inspired by the latest Google+ posts by several of the developers of Avogadro (+Marcus Hanwell, +David Lonie, +Open Chemistry) I decided to install what is now known as Avogadro2 along with several other Open Chemistry packages.

The first step was to get hold of the sources which proved to be easy.

Second step was to compile which was also quite easy because the new cmake scripts downloads the correct packages you need (clever!). However, on my Ubuntu 12.04 I had to install the following extra packages to get rolling - my approach was to just see what failed and install what was missing.

sudo apt-get install libxt-dev
sudo apt-get install libqt4-opengl-dev
sudo apt-get install libbz2-1.0 libbz2-dev libbz2-ocaml libbz2-ocaml-dev
sudo apt-get install libqt4-dev qt4-dev-tools libqt4-webkit libqt4-core libqtwebkit-dev qt4-designer

Now, I haven't run the make install part of the whole shebang yet, but I have been able to run the new Avogadro application directly from the build directory so at least everything seems to compile fine. I was very inspired by the post on python input generators by David Lonie. Maybe I'll cook something up some day.

For now, it seems that Avogadro2 is a step back in terms of what you can actually do, but it also appears the developers are hard at work actually getting the application up to speed and ready for a beta-release very soon. I know I am excited.