Jörg Saßmannshausen

Just to add to this confusion more: On my home machine, running Debian 10 (Buster), using Singularity version `3.8.5` or `3.8.4` and fuse-overlayfs version `1.7.1` or `1.8.1`, it is all...

Test report by @sassy-crick **SUCCESS** Build succeeded for 5 out of 5 (5 easyconfigs in total) hp - Linux Debian GNU/Linux 11, x86_64, 11th Gen Intel(R) Core(TM) i7-1185G7 @ 3.00GHz,...

I hope it is all correct now. There should be three EasyConfig files: for version 2021.3: `GROMACS-2021.3-foss-2021a-PLUMED-2.7.2.eb` for version 2021.5: `GROMACS-2021.5-foss-2021b-PLUMED-2.8.0.eb` `GROMACS-2021.5-foss-2021b-PLUMED-2.8.0-CUDA-11.4.1.eb` Sorry for the mess, I hope it is...

Thanks for adding the patches and do that straight away, much appreciated!

> @sassy-crick looks like you're missing a dependency on ghostscript: `configure: error: ** Cannot find ghostscript. If it is already installed, Check PATH.` There was a bit more to be...

I have pushed the Java version to the latest, 17. I still got an EC for Java version 11, which seems to be used more frequently for `GCC-11.20` it seems....

@Flamefire The serial version of GULP is what most users in the community are using, so that is needed. I don't know if the serial code is different from the...

> GULP needs FFTW and we have FFTW (only) at a level where OpenMPI happens to be there too Not quite. There is still the `golf` toolchain for exactly that...

Thanks for the useful discussion earlier on. As discussed: - I have added the `usempi: True` to both of the foss EasyConfig files - I have removed all the serial...

@Flamefire Why does your build fail with the wrong checksum? I get: >$ sha256sum gulp-6.0.tgz b63cff96300356728ee641e7bac8f065a01f108a2289711c3d3d11d4050527f6 gulp-6.0.tgz I hope that is not one of these annoying checksum problems.