Back in EnglandTuesday, August 31. 2010We are back in England after nearly two years away, we landed yesterday morning at London Heathrow. We flew with American Airlines this time (my first time with them), and I must say that I still prefer British Airways - they give you free drinks and I remember the staff being friendlier. The flight went well, and they got us in on time, immigration and baggage claim was all very simple, and so I was pleased the travel went well. William was a little angle on the flight, after letting him run around the airport for a few hours. This is William's first time in England, so after getting the Underground to St Pancras Louise and I parted ways. She headed up to Sheffield with William, and I headed up to Chester to get my geek on. I will be spending the next couple of days talking with Noel, Tim and Chris about Open Babel development, CMake, Git, Gerrit and open source chemistry software i general. It should be a lot of fun, and while I have not had anywhere near the time I would like to work on open source projects in general, I think some of the things I am doing at Kitware might be useful. Then Louise and I will be meeting up in London, staying with friends so that we can make our third trip to the US embassy to ask for another visa stamp. All of the forms have changed since we last went in 2008, and our visa type has changed. Hopefully that will all go smoothly, then we will visit another friend before returning up t'North together. I should finally make it up to Sheffield myself on Saturday, but plan on heading out on the Sunday. I have a week of meeting with chemists, physicists and materials scientists, mainly of the computational persuasion, to talk about cool stuff I am doing and what they are doing. There will be a short intermission on the weekend for a friend's wedding, before continuing another week of talking to scientists. One of these visits will take me down to Cardiff, where Torchwood was filmed. So I am doubly excited by seeing the city where one of my favorite Doctor Who spinoffs was filmed, and meeting with more people to talk about quantum chemistry, electronic structure and visualization. I will be ending my time in England on this trip in Sheffield, meeting with old supervisors, friends and coworkers, talking about what I am doing now and how we might work together in the future. I am also hoping to squeeze in a generous helping of real ale, some fish and chips, a few full English breakfasts and time to catch up with family and friends. Despite being back for quite a long time, and initially wondering what we would do, I find I don't have nearly enough time to meet with everyone I would like to and catch up with all of my old friends. We should try to make sure we come back more often! I think this post is long enough already - looking forward to getting out and about in England after my long absence. We will be looking around Chester later, before getting down to business. Returning From Hibernation...Sunday, May 23. 2010Wow, I just looked and I haven't written a thing since January! For those of you who might have been worried, or just wondered what I was up to...here is a quick run down. I am going to start with a little advice, combining starting a new family with moving from academia to industry and moving house it tough I hope to remedy that in the coming months, and have started by doing some development for Avogadro and Open Babel. I also got Kalzium in KDE trunk ported to use the system Avogadro library, with some help from Pino Toscano. So KDE 4.5 will feature a Kalzium using the system installed Avogadro, this prompted a couple of bug fixes in Avogadro. So after that I tagged and released a much delayed Avogadro 1.0.1 with several bug fixes. Way back in March Kitware was kind enough to send me out to the March ACS meeting, where I presented a talk on VTK, ParaView and its use in chemistry. I also gave a talk on Avogadro, and its use as a framework in chemistry visualization, which Geoff followed up with a talk on some applications of the Avogadro framework in his research. The ACS conference deserves a full post of its own, but I feel like it has been so long I will just summarize a few of my thoughts. There were some other really interesting talks on visualization, and how it can be applied in chemistry. I got a general feeling that commercial software still has too much of a stranglehold, and hope to see that change as we develop powerful open source platforms that can be shared by all. There is a definite need for this in chemistry, and I am doing everything I can to seek some funding to further that cause, failing that I will continue to do what I can in my spare time. I was honored to meet members of the Blue Obelisk for the first time. Saw some great talks about open science, open data, open standards and open access. I especially enjoyed meeting and seeing Peter Murray-Rust talk for the first time, I found that I share many of his ideals. I think we differ in some places, but life would be boring if that were not the case! Our son, William, is nearly one year old already! He might be a big part of the reason why I have been inactive. The kinds of sleep deprivation torture you go through with children are indescribable We had our first visitors in our new home - friends from Pittsburgh and Washington DC all came up for a weekend. I fired up our new BBQ, an enormous American style with offset fire box. Made some amazing ribs, and shared some of the home brew I made - a portable porter, and an English brown ale (first two batches). We are just getting ready for a trip to Pittsburgh, and then William's first birthday (planning a small party at our place). Then there is work, lots of exciting things are happening there. I taught my first course at Kitware, going through ParaView plugins. The new CMake book came out (I am one of the contributors to the new edition), and the new VTK book came out at around the same time. Kitware is hiring, so please let me know if you are interested in applying. We have some really interesting projects to work on, most of my time is spent on something called Titan. Last Friday I also pumped the tyres up on my bike, and rode into work for "Bike to Work Day". I have skipped loads of stuff, but already wrote more than I intended. I will see if I can be a little more disciplined and write more frequently. My current problem is finding time to fit everything in, but I have a new strategy I am working on in order to do better. Life after the big 30 is certainly different. I feel energized again, and hope to be writing about more fun and interesting stuff I am doing over the coming months.
Posted by Marcus D. Hanwell
in Avogadro, Chemistry, FOSS, General, Health & Fitness, KDE, Kitware
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New Kitware Developer BlogFriday, January 29. 2010Yesterday Kitware launched a new developer blog. There are categories for the different areas Kitware operates in, such as software process (CMake && friends), scientific visualization (the area I work in, e.g. VTK, ParaView), and our work in open source, which I am very passionate about. Check out Will Schroeder's post on Why Open Source Will Rule Scientific Computing, I think he makes some great points - in my own research career I witnessed how inadequate closed source options often are. Bill Hoffman's post on Deploying on Windows with DLL Manifest Issues is something near and dear to my heart, I posted about similar issues last year in DLL Hell...The New DLL Hell? These recent changes will certainly go a long way to ensuring future developers can more easily validate Windows packages before distributing them. You can also check out my first post on visualizing the commit history of the VTK and CMake repositories in VTK and CMake Code Swarms. I will get some more technical posts up soon too! Exciting things happening, still enjoying my new job at Kitware. Disclaimer: The opinions and musings in this post are mine, and not necessarily those of my employer. Another Post About Camp KDE 2010Wednesday, January 20. 2010There have been lots of posts about Camp KDE on Planet KDE, along with identi.ca posts and a stream of photos on flickr. It has been a great event so far with some really interesting talks. I especially enjoyed Philip Bourne's talk on open access to data which is very close to my heart, but noted that many parts of the stack used are still closed source. My background in Physics and Chemistry tell me that this needs to change. Open access data without open source tools to create, store and view that data is only addressing one part of the problem. I hope to address other parts of this issue in the work I am doing at Kitware Celeste's talk was also interesting, and I found out that I may be an OCD interface design guy (many of the points she outlined bugged me in projects I had worked on, especially consistency in interfaces, grammar, etc). Great talk, and illuminating for someone like me who has not worked with anyone in this field before. Then of course there was Till and Alexandra's talk on career opportunities in FOSS, which was a great talk and I found myself nodding along with them. My windy path was not quite so glamourous as rock star or opera singer, but I can certainly identify with them. I instead pursued a degree and a PhD in physics research (largely experimental too), only to find I was extremely passionate about developing software to edit and visualize the data, rather than spending months in the lab. This is not even the end of the first day, and so you can tell it was a great conference. Jos talked to use about marketing and then Artur presented his take on KDE form the desktop to the pocket. I still really want my own N900 to experiment with taking scientific visualization to the pocket (I have the desktops, laptops and a netbook to play with already). The next morning began with Frank presenting his vision of open source in the cloud, I find myself using the cloud more and more (especially now I have a Droid), but share his concerns and wish to create AGP led alternatives that can be easily deployed by both companies and individuals. I also really enjoyed Romain's talk on the state of KDE PIM/KDE Windows, with live demos (warts and all). It also nicely segwayed the need for automated testing in order to improve the quality of KDE on other platforms, as well as use our limited resources wisely. I presented my talk on CMake, CTest, CDash and improving the software process in KDE. I think the testing framework can really help KDE developers by providing continuous feedback about platforms not everyone has access to. There are already quite a few KDE projects on my.cdash.org, and I would like to improve that and possibly use subprojects to divide the projects up into manageable pieces. More great talks from Leo, and we ended the day with plasma talks and demos from Marco and Chani. I don't want to reproduce the schedule, but needless to say we had a great set of talks (all of which were taped and should be available soon). Thanks go out to Jeff and the ground team here for organizing the event so well. Monday was taken up with some more technical talks, Will's talk on the build service is something I would like to use in the future and see if we can get it contributing build/test results to KDE dashboards. The day concluded with CMake training run by me. I really enjoyed the dialog that was present in many of the talks (mine included), and got some great feedback about the training afterwards. I would love to do this again at future KDE events, and from the feedback I received it would seem others would like that to. It was very strange not to talk about any of the scientific visualization work I am doing, one of the first conferences in years where I have not. Tuesday was the traditional trip day, and we checked out Stone Brewery, tried some excellent ales and then had dinner at one of the longest tables I have ever eaten at. William was of course in attendance, as the youngest attendee. After that we braved the driving rain and winds to get back to the UCSD campus. I took the opportunity to catch up on some work, and recharge my batteries a little ready for the Qt training that is being offered by Till Adam of KDAB today. Looking forward to a day of learning and admiring the sun this morning! The company has been great, and I am very pleased I was able to make it along. This is my first business trip for Kitware, and I am very pleased they sent me along, and that NAMIC sponsored my attendance. Disclaimer: The opinions and musings in this post are mine, and not those of my employer. Any mistakes/inaccuracies are also mine, that said I would love to hear what people think of this new work.
Posted by Marcus D. Hanwell
in Academia, Chemistry, KDE, Kitware
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11:18
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Kitware at Camp KDE, Software Process Talk and CMake TutorialThursday, January 14. 2010Kitware is very kindly sending me to Camp KDE. I will be giving a talk on Sunday about CMake, testing, software process and new features in the recent CMake 2.8.0 release. I will also be running a training session on CMake on Monday afternoon. See you all there! I will also be available to talk about many other things, such as the migration to git, open source chemistry, open science and scientific visualization. Since I joined Kitware I have been exploring some crazy cool ideas in new areas of visualization too, hopefully my influence has not been too disruptive. I will be on the lookout for potential Qties to join my team of Qties at Kitware - be warned ![]() Looking forward to my second Camp KDE! We should arrive in San Diego Friday afternoon, not looking forward to the security lines... I will of course be bringing my spawned process (now named William), who was but a bump at the last Camp KDE. His Mum will be in attendance too, having to travel on her birthday. I am in the last few weeks of my twenties, so be kind. Google Tech Talk on CMakeThursday, January 7. 2010Bill Hoffman gave a Google Tech Talk on 7 December 2009 at Google's New York city office on CMake, CTest, CDash and CPack. Google recently made the talk available on YouTube. I wish I could have made it down with Bill and Will to see Google's New York office. For anyone attending Camp KDE, I will be discussing some of these concepts there too, but with a focus on the software process and testing components of CMake. VTK: New 2D API, Canvas and Charting FeaturesThursday, December 24. 2009Since joining Kitware in October, one of the first projects I was tasked with is revamping the 2D charting capabilities in VTK and ParaView. At first I was a little daunted as it meant digging through many of the internals of VTK, and breaking an assumption that is made in many parts of VTK - that everything being rendered is 3D. A large portion of this work is also being driven by the InfoVis features in VTK, along with project Titan that we work on with some really interesting people from Sandia National Labs. The project grew quite a bit from its original scope, and I have now added some new 2D API that uses OpenGL as a backend, with the scope to add further backends in the future. I have been working on optimizing the OpenGL case so that large data sets can be rendered interactively, and small data sets can be rendered with minimal lines of code whilst giving pleasing visual results. Then when considering user interaction with these 2D elements we decided that a higher level API would be useful, that could contain objects and propagate mouse events to items in the scene. So I set about prototyping a new canvas based API. At this point I had enough new infrastructure that I felt it was about time I got back to my original task of implementing some efficient, well rendered 2D charts in VTK. Once I had my initial prototype in place it was time to expose this in ParaView and see how everything fitted together. As you can see in the screenshot above, things are shaping up very nicely. The new chart is in the bottom right widget, the chart above is the existing chart widget. I have really enjoyed my first few months at Kitware, and have found my first project both challenging and rewarding. It is great to be working on real problems that have a broader impact, and as I flesh out these features I will try to maintain cross platform, high performance interactive charts. I think I have also added some useful new 2D focused API that can also be rendered over the top of VTK's existing 3D visualizations, opening the door to some very exciting new views on data. As a physicist I also feel it is interesting the symmetry - Qt adds 3D to a 2D toolkit, and at the same time I am adding 2D to a 3D toolkit. Hope you all have a Merry Christmas, and a Happy New Year. I will be tracking Santa with my son this evening! Disclaimer: The opinions and musings in this post are mine, and not those of my employer. Any mistakes/inaccuracies are also mine, that said I would love to hear what people think of this new work.
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