Matthew Archer

icon company University of Cambridge icon location Cambridge icon location Senior Research Software Engineer in the ICCS at The University of Cambridge.

Results 6 comments of Matthew Archer

Missing header

I get the error building with spack using gcc-12.1.0

Allowing cpus to be set annd used in run_alphafold.py

Thanks for the PR - I was looking to do something similar. It looks like --cpus is not propagated to the hhblits step, i.e. line 377 of run_alphafold.py (so it's...

Add testing pipelines to Spack packages

There are two ways to run spack tests: `spack install --test root` runs tests after installing. This seems to be working with [py-fenics-basix](https://github.com/FEniCS/spack/blob/updates/fenicsx-tests/var/spack/repos/builtin/packages/py-fenics-basix/package.py). If tests fail, packages are not installed,...

XPU and MPS support

It seems like PyTorch now provides [binaries](https://pytorch.org/docs/stable/notes/get_start_xpu.html) built for xpu support from 2.5.0 onwards (as of 28th October, 2.5.1 has been released). Installation on Dawn. Allocate a node as usual:...

Updates in train.py rpn layer and predict.py proprocessing

This PR has become stale. @PatBall1 is it still relevant?

Workflow dependencies

Currently being addressed by #126