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Compiling potfit - Examples

Here are some examples on how to compile potfit using the waf build system.

Cleaning up

To remove all build artifacts from all previous builds use this command:

./waf distclean

Setting the options

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.

Setting custom compiler flags

To pass custom flags to the compiler, you can use the common environement variable CFLAGS during the configure stage:

CFLAGS="-fomit-frame-pointer" ./waf configure -i stiweb --enable-evo
./waf build
compiling/examples.txt ยท Last modified: 2020/05/14 15:51 by daniel