After a long time since I compiled LAMMPS I decided to give a try to Make.py and I found it very useful. Since I need the GPU package, I had the problem of specifying a non-standard path to CUDA (where by “standard” I mean /usr/local/cuda) without manually tweaking the package makefiles since this in my opinion defeats the purpose of Make.py.
Attached you can find a slightly modified version that takes the optional field “dir” for the “-gpu” option and allows to enter the value for CUDA_HOME variable in Makefile.auto. In addition it also updates the gpu_SYSPATH value in Makefile.lammps..
Since in the GPU package is only the first of all the packages I want to build for LAMMPS, I may implement the same for other packages. If you are interested I will be happy to send future updates.
Make.py (71.3 KB)