How do I select the compiler and/or flags to use?

Friday, 09 September 2005

Select the compiler by setting the CC and/or F77 environment variables before running the GROMACS configure script (MPICC for the MPI C compiler). You can also set the corresponding compiler flags with CFLAGS and FFLAGS, and the linker flags with LDFLAGS. If you want to add a library at the link stage you can add the -llib flags to the LIBS variable, and include directories can be added in the CPPFLAGS variable.

 

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