Portability issues and some fixes about do_x3dna HOT 2 OPEN

Any updates on this? I am trying to cmake with gromacs 2021 but I'm not not able to specify a suitable -DGMX_PATH that contains both include and lib. Any thoughts or recommendations would be appreciated.

from do_x3dna.

Dear @mrjoness,
to build executable, I just was does following:
Folder with sourse "do_x3dna" I placed in the main Gromacs source tree:
...\gromacs-2019.4\src\gromacs\do_x3dna-master

Contents of ...\gromacs-2019.4\src\gromacs\do_x3dna-master\CMakeLists.txt is fully new:
add_executable(do_x3dna src/GMX2016/do_x3dna.cpp src/ExtractData.h src/ExtractData.c)
target_link_libraries(do_x3dna libgromacs ${GMX_EXE_LINKER_FLAGS} ${GMX_STDLIB_LIBRARIES})
And add a row to ...\gromacs-2019.4\src\gromacs\CMakeLists.txt (for example, after all "add_subdirectory" in this file) :
add_subdirectory(do_x3dna-master)
That's all, module do_x3dna now is builded with main gromacs source tree, enjoy.

I did not try to insert do_x3dna into version 2021, I hope the API has not changed much

PS. Interface to XPM matrix was changed. I neeed any time to rewrite it
PPS. Now it is compiled and tested with version 2021.3
diff2021.txt
.

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