add GROMACS v4.6 easyconfigs

Signed-off-by: Fotis Georgatos <fotis.georgatos@uni.lu>
fix toolchain and dependencies

Signed-off-by: Fotis Georgatos <fotis.georgatos@uni.lu>
split headers as per #165

Signed-off-by: Fotis Georgatos <fotis.georgatos@uni.lu>
fix remarks as per #165

Signed-off-by: Fotis Georgatos <fotis.georgatos@uni.lu>
change filenames and fix toolchain to goolf correctly

Signed-off-by: Fotis Georgatos <fotis.georgatos@uni.lu>
draft easyconfig for GROMACS with goolfc v1.3.12
add CMake dep for GROMACS
remove GROMACS easyconfig with CUDA as a separate dependency, should use goolfc toolchain instead
move to GROMACS v4.6.1, include downloading and running of GROMACS regression tests
remove easyconfig for CMake with goolfc v1.4.10
explicitely disable CUDA support for GROMACS (build breaks with a GCC v4.7-based toolchain)
Merge pull request #12 from boegel/contrib_GROMACS

GROMACS tweaks
Merge pull request #165 from fgeorgatos/contrib_GROMACS

add GROMACS v4.6 easyconfigs