balston

Updated to install GROMACS 2023 (released on 6th February): https://manual.gromacs.org/current/download.html

A GPU + Plumed version has also been requested for Young.

Comment from user about the GPU + Plumed version: > Also just another note on the plumed install that you may not be aware of but I plan on using...

Latest release is 3.0.4: https://github.com/MRtrix3/mrtrix3/archive/refs/tags/3.0.4.tar.gz

Web already have the following dependencies available: ``` require gcc-libs/10.2.0 require compilers/gnu/10.2.0 require python3/3.9-gnu-10.2.0 require fftw/3.3.9/gnu-10.2.0 ``` but don't have Eigen or Qt 5 for GNU 10.2.0.

I've installed the latest Eigen (3.4.0) for use with GNU 10.2.0. I'm not sure if the Qt toolkit is need to build command line MRtrix3 so will investigate this next.

I've created a build script for V 3.0.4 which is the latest version without any Qt module loaded and ran it as follows: ``` cd /shared/ucl/apps/build_scripts module -f unload compilers...

Build script updated and re-run. Unit tests pass. Will update the module file tomorrow.

Updated module file now uploaded to Myriad. To access this version the following module commands should be used: ``` module -f unload compilers mpi gcc-libs module load beta-modules module load...

The requestors have been informed.