Header files are not copied when install GROMACS 2022

User discussions
1

GROMACS version: 2022.1
GROMACS modification: No

Hi everyone,

I tried to compile my own trajectory analysis program based on GROMACS 2022.1, and I tried to compile the template.cpp in

share/template/template.cpp

first. And it seems that due to the header files are not copied/installed to

include/gromacs

where GROMACS installed, so when I compiled template.cpp using

make -f Makefile.pkg

it prompted an error said that

fatal error: gromacs/trajectoryanalysis.h: No such file or directory

Does anyone know how to resolve this problem in this version? because it works when I use GROMACS 2019 or the older version.

Thanks
Wei

2

Hi,

I had the same problem. You need to set GMX_INSTALL_LEGACY_API to ON and then “make install” will install the header files needed to use the template.

Best,
Kamil