Here are some examples on how to compile potfit using the waf build system.
To remove all build artifacts from all previous builds use this command:
To compile potfit you have to know which options you want to enable. You can find a comprehensive list of all options here.
Assuming you want a potfit binary to optimize EAM potentials and also include stress, you can build it using these commands:
./waf configure -i eam -m tab --enable-stress ./waf build
This should create a binary called
potfit_tab_eam_mkl_stress in the bin/ folder.
To pass custom flags to the compiler, you can use the common environement variable
during the configure stage:
CFLAGS="-fomit-frame-pointer" ./waf configure -i stiweb --enable-evo ./waf build