I was working through some patches today, and noticed some regressions. I have merged in some changes, and I would like to take some time to fix up some of these new segfaults. The one I was hitting seems to be coming from some of the new QTAIM code to take orbital data. It also highlights the increasing need for more unit testing, and so I got to work fixing up my dashboard submission and getting a coverage submission working. I will see if I can get a Windows dashboard going tomorrow too, and once the Python fixes are approved I can add a Python build back in (I have Python 2.7 here).
ParaView recently split out its BSD licensed Qt testing framework into a separate Git submodule. I would like to adapt Avogadro to make use of this framework, unless someone has something better in mind. It basically allows us to record interaction with the GUI and replay it in a unit test. As far as I know it only uses Qt (no additional dependencies) and is BSD licensed.
A project I have been working on for ITK is integration of Gerrit with CDash. Kitware now has a Gerrit instance, on a dedicated server which is more powerful than my aging machine. If there are no major objections I can move Avogadro code review there, and this will allow me to setup Gerrit integration. This would give us on demand testing of new Gerrit submissions - I currently have this working for ITK where new patches trigger a build on Windows, Mac and Linux.
To really make use of this testing we need to test more of Avogadro. Having some measures in place is a good start, and I should be able to provide most platforms. Geoff - I notice your dashboard fails as it is compiling Avogadro 64 bit, and glew is 32 bit. You could just turn off glew, and I could help you with a CTest script to ensure it updates properly - you can see the script I am using by clicking on the Note icon in the submission I made.
After we have that I was hoping to get some image comparison working too, there is some code I should be able to adapt from VTK/ITK. The CDash@Home support I have been working on should allow people to donate machines, and have CDash/Gerrit schedule builds on the machines. There are a few articles I can dig out links for if there is interest in any of them.
The SBIR funding I applied for is through, and I will be working with Albert from the Gordon Group (GAMESS) on Avogadro, electronic structure, databases, cluster/HPC submission integration and other related tools. This means I get around 6 months where I can spend a fair portion of my days working on Avogadro, and if things go well this could turn into a few years.
I would like to focus on stability, and scaling to some of the larger systems, as these were two things people pointed out as I was traveling the UK talking about Avogadro. I will also be working on a volume rendering plugin, and some other bits. I should have the split out quantum library ready in the very near future, I know there has been a lot of interest in this and so I have been forging ahead.
This turned into a very long post, I am excited to be able to spend some real time on Avogadro again. I updated the wiki instructions a little to reflect the simpler Gerrit workflow, and I will add some helpful setup scripts and Git aliases I developed for ITK and Titan soon. I have several quantum codes, including GAMESS, set up now for some testing too.
PS Didn’t intend to write so much…long overdue update.