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channotation / chap

CHAP is a tool for the functional annotation of ion channel structures:
http://www.channotation.org
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cmake error #46

Open DehuryB opened 2 years ago

DehuryB commented 2 years ago

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

vinnu0143 commented 1 year ago

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

aakvh commented 2 months ago

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.

al42and commented 1 month ago

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.