Dear Sirs,
First of all, thanks for embedding QUIP into LAMMPS! When I install the software using commands $ make yes-ml-quip, $ make ubuntu, I get the following error: “…/…/lib/quip/Makefile.lammps:36: *** fortran compiler >>mpif90<< not recognised. Edit lib/quip/Makefile.lammps to specify the fortran library your linker should link to.” My QUIP package is configured with “linux_x86_64_gfortran_openmpi” and compiles with no problem with “$ make libquip”. My linux system also has fortran. I am not sure what is causing this. Do I need to fix this error by modifying the file Makefile.lammps? If so, what specific commands do I need to add to the file to make the program compile? I’m really looking forward to your reply, any advice is appreciated.
Please see: 3.7. Packages with extra build options — LAMMPS documentation
We generally encourage people to try the CMake based build process first as it is more automatic.
P.S.: Please always report what LAMMPS version you are trying to compile and what platform you are on.
Thanks for your reply. The version of LAMMPS I’m using is lammps-stable_2Aug2023_update1, using the deepin20.9 platform.