chap cmake error

In file included from /home/vrdl/Downloads/chap-master/src/aggregation/boltzmann_energy_calculator.cpp:25: /home/vrdl/Downloads/chap-master/include/aggregation/boltzmann_energy_calculator.hpp:30:10: fatal error: gromacs/utility/real.h: No such file or directory 30 | #include "gromacs/utility/real.h" | ^~~~~~~~~~~~~~~~~~~~~~~~ compilation terminated. make[2]: *** [CMakeFiles/chap.dir/build.make:63: CMakeFiles/chap.dir/src/aggregation/boltzmann_energy_calculator.cpp.o] Error 1 make[1]: *** [CMakeFiles/Makefile2:559: CMakeFiles/chap.dir/all] Error 2 make: *** [Makefile:141: all] Error 2

Jun 28 '22 05:06 DehuryB

I have also seen the same error in ubuntu. Is there a solution for this?

Nov 15 '22 07:11 vinnu0143

newer versions of gromacs don't have the real.h. you can probably install gromacs-2021.tar.gz and it should work. but maybe @DSeiferth could address this.

Jul 19 '24 18:07 aakvh

newer versions of gromacs don't have the real.h

That's not quite correct. GROMACS still has real.h, but does not install it by default. You should add -DGMX_INSTALL_LEGACY_API=ON flag when configuring GROMACS.

P.S.: Not saying that will solve any other possible compatibility problems.

Aug 23 '24 10:08 al42and