Hi all, I’ve encountered a bit of a snag when trying to build GROMACS. There is an EasyBlock for GROMACS >= 4.6, but the research group I’m working with requires version 3.3.3.
I find that at or around version 4.6, GROMACS switched from using Configure + Make to using CMake. I also notice that the EasyBlock for GROMACS >= 4.6 is based on CMakeMake. Any putative EasyBlock for GROMACS < 4.6 would be using ConfigureMake instead. Is there a convenient way to do things so I can have both EasyBlock modules in place at once? I don’t suppose I could call both EB_GROMACS, and it’s not clear that names such as EB_GROMACS_PRE46 and EB_GROMACS_POST46 will have the desired effect either. Thoughts? Thanks, Ben
