LFortran compiles dftatom

We are happy to announce that LFortran can now compile dftatom:

LFortran is still in alpha. You can follow our progress towards compiling 10 third-party codes at https://lfortran.org/ , we have a nice progress bar there, and links to blog posts for each code that we can compile and a date we achieved each milestone. Current status: 4/10.

This is our most complicated code yet, a lot of array features, both manual makefiles and cmake build system works, all 21 tests compile and run correctly. We enabled LFortran testing at the CI of dftatom.

Context: I spent over 6 months at LLNL developing this code about 13 years ago. It’s a smaller but solid computational physics code, we have not written it with LFortran in mind, but rather to be as portable as possible, clean, simple, high performance and accuracy, make it easy for people to copy and put into their bigger electronic structure codes.

29 Likes