Bug #3085

gromacs-toolchain.cmake file does not work on OS X

Added by Eric Irrgang about 1 month ago. Updated 12 days ago.

Fix uploaded
build system
Target version:
Affected version - extra info:
Affected version:


The generated toolchains file, now installed to share/cmake/gromacs/gromacs-toolchain.cmake in the GROMACS installation, is insufficient to reproduce the GROMACS build environment on Mac OS X. (This means that requiring the file for the gmxapi breaks the gmxapi Python package installation.) To reproduce, it is only necessary to try to use the file to configure GROMACS again.

To reproduce:

cmake path/to/gromacs-repo -DCMAKE_INSTALL_PREFIX=$HOME/gromacs
make install
cmake path/to/gromacs-repo -D -DCMAKE_TOOLCHAIN_FILE=$HOME/gromacs/share/cmake/gromacs/gromacs-toolchain.cmake


CMake Error at src/api/cpp/CMakeLists.txt:52 (add_library):
Attempting to use @rpath without CMAKE_SHARED_LIBRARY_RUNTIME_C_FLAG being
set. This could be because you are using a Mac OS X version less than 10.5
or because CMake's platform configuration is corrupt.

Associated revisions

Revision 522ef8ca (diff)
Added by Eric Irrgang about 1 month ago

Do not use gromacs-toolchain in darwin gmxapi builds.

Add workaround for toolchain issue on OS X.

Refs #3085

Change-Id: I96a8242b14c86abd4926b6abf5a401c37953b9bc


#1 Updated by Mark Abraham about 1 month ago

Yes. Presumably, since the toolchain file implies cross-compiling, CMake doesn't do the automatic environment detection that it normally would. Usually, setting CMAKE_OSX_DEPLOYMENT_TARGET and CMAKE_OSX_ARCHITECTURES are sufficient to configure the dynamic linking stuff correctly.

While I think we need the toolchain file for true cross-compilation scenarios (Cray HPC systems, etc), it may be that this isn't the right tool for getting the GROMACS-compatible compilers. If we want to stick with CMake machinery rather than a more generic scriptlet or configuration file, we could consider providing a stripped down CMakeCache file to bootstrap from with "-C"

#2 Updated by Paul Bauer 24 days ago

  • Status changed from New to Resolved

I think this has been resolved?

#3 Updated by Mark Abraham 24 days ago

  • Status changed from Resolved to Blocked, need info

I don't think anybody has worked on this.

@Eric does it still repro?

#4 Updated by Mark Abraham 24 days ago

  • Target version changed from 2020-beta1 to 2020-beta2

#5 Updated by Eric Irrgang 23 days ago

Mark Abraham wrote:

I don't think anybody has worked on this.

@Eric does it still repro?

I rebased locally onto master and confirmed that the problem is still the same.

Change-Id: I96a8242b14c86abd4926b6abf5a401c37953b9bc was just a workaround.

#6 Updated by Eric Irrgang 12 days ago

  • Status changed from Blocked, need info to Fix uploaded

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