Installation issue: about spack

[mtaillefumier]

they are quite few errors showing up. One is relatively simple and is due to the order in which the libraries are placed. The makefile recipe places the mpi dependency and the stdc++ library in between other libraries while it should be one of the last libraries. The other errors are due to the use of the old build system which we do not use at all.

I would use the cmake build system to be honest as it is more robust than the original one. Unless you have external constraints I would also use a more recent version of cp2k as the cmake build system contains many fixes.

To use the cmake build system, just add build_system=cmake to the spack command line. It should work for the version 2023.1 as well.

[mtaillefumier]

I opened a PR #44650 attempting to fix the issue.

[SQLimit]

Thanks for your kindly reply.

they are quite few errors showing up. One is relatively simple and is due to the order in which the libraries are placed. The makefile recipe places the mpi dependency and the stdc++ library in between other libraries while it should be one of the last libraries. The other errors are due to the use of the old build system which we do not use at all.

after run spack isntall --fresh <package> command, I was able to build [email protected] %[email protected] successfully.

I would use the cmake build system to be honest as it is more robust than the original one. Unless you have external constraints I would also use a more recent version of cp2k as the cmake build system contains many fixes.

newer version of [email protected] %[email protected] or %gcc@13 failed with dbcsr installation

CMake Error at CMakeLists.txt:181 (message):
  The listed MPI implementation does not provide the required mpi.mod
  interface.  When using the GNU compiler in combination with Intel MPI,
  please use the Intel MPI compiler wrappers.  Check the INSTALL.md for more
  information.

To use the cmake build system, just add build_system=cmake to the spack command line. It should work for the version 2023.1 as well.

[SQLimit]

I opened a PR #44650 attempting to fix the issue.

thanks for your effort.