liam-deacon/cleed

Computational package for Low Energy Electron Diffraction using ML optimisation algorithms

Hello, World!

I am a natural tinkerer, technology enthuisiast and life-long learner! I love challenges and take pride in the work that I do 🚀

🔧 Tools & Technologies

I've used a lot of different tools and technologies, so here are some highlights:

GitHub Stats

👀 Highlighted Repos

Here are some open source repos I have made:

       

cleed's Issues

Compile Issues On "master" and "stable"

Hello,

I was interested in using this program for my research and was attempting to compile it. The instructions for compiling could use some updating, as there were a number of package prerequisites I didn't have on my system, and cmake no longer accepts -i as an option, which led to a whole lot of other weirdness.

Even after getting those difficulties sorted out, it appeared that the package was not in a state so that it could be compiled. The first compile complained that lattice.c didn't have a main function or defined variables. The second compile revealed that a variable was likely renamed from "eng" to "energy" in one file, but not another. The current hurdle is that eng is being referenced as if it were a struct, but the compiler doesn't think that it should be. At this point, I began to question whether it was worth chasing down all of these threads.

I would really appreciate if you could provide a version of the program which compiles for you, just so I can know that the issues I'm experiencing are because of something wrong with my installation, and not because the project wasn't in a working state to begin with.

I also tried installing via pip, but it said "No matching distribution found for cleed"

I can provide more details of the issues I experienced, if that would be helpful for you.

Thanks in advance for your help,
Karl

Qt4 support dropped from Ubuntu 20.04

This program relies on Qt4, and Qt4 packages have been dropped from standard Ubuntu installations starting with Ubuntu 20.04. For the longevity of the program, it would be good to switch to Qt5.

Here are some instructions I found on accomplishing this transition:
https://wiki.qt.io/Transition_from_Qt_4.x_to_Qt5