[gmx-users] Using libgromacs in a CMake project built on the fly?

Cory J. Geesaman cory at biocoin.org
Sat Jan 27 04:12:16 CET 2018

Is it possible to use libgromacs in a CMake based project which links the
library in at build time (but from source as opposed to a system-wide


So far I have the gromacs source included as a submodule from
https://github.com/gromacs/gromacs.git located in the subdirectory


In my CMakeLists.txt I have:




and a bit further down:


target_link_libraries(${PROJECT_NAME} ${Boost_LIBRARIES} libgromacs)


Which seems to pass the CMake tests, but when it gets to actually building
the project I get the error:


-w64-mingw32/bin/ld.exe: cannot find -llibgromacs

collect2.exe: error: ld returned 1 exit status


I'm sure this is some kind of CMake error but I don't know what it could be
precisely because I'm relatively new to CMake.  I'm building with
CLion+MinGW on Windows 7 (but also intend to build on Linux.)


Additionally, are there any significant gromacs-specific performance
concerns I should be aware of building Windows binaries with MinGW or will
it work as well as with a Windows build platform like visual c++?


Thanks for any information,


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