Describe the bug
I've been trying to build dbcsr for CP2K using LLVM's new Fortran compiler (flang). It is doable as long as -ffree-form is passed as the Fortran compilation flag. Unfortunately, I could not build CP2K with the dbcsr installed by make install. Only two of the .mod files have been copied into the target include directory. Unfortunately, Flang needs all of them when using dbcsr's Fortran modules. The workaround is to copy them module files manually, but this is a hassle for an inexperienced user, so it's worth sorting out.
To Reproduce
Steps to reproduce the behavior:
- Built with the command: 'cmake ...'
- Run like this: '....'
- On the architecture/host/platform: 'AArch64/Linux'
- See error
Expected behavior
Easily usable dbcsr installation.
Environment:
- Operating system & version: Linux
- Compiler vendor & version: LLVM, the most recent
- Build environment (make or cmake): CMake
- Configuration of DBCSR (either the cmake flags or the
Makefile.inc):
-DBUILD_SHARED_LIBS=True \
-DCMAKE_BUILD_TYPE=Release \
-DUSE_OPENMP=ON \
-DUSE_MPI=ON \
-DUSE_MPI_F08=ON \
-DWITH_C_API=OFF \
-DBLAS_LIBRARIES="-larmpl" \
-DLAPACK_LIBRARIES="-larmpl" \
-DCMAKE_INSTALL_PREFIX=$HOME/cp2k-ompi5-atfl-f08
- MPI implementation and version: OpenMPI 5.0.6
- If CUDA is being used: CUDA version and GPU architecture: No CUDA
- BLAS/LAPACK implementation and version: ArmPL
- If applicable: Runtime information (how many nodes, type of nodes, ...): not applicable
Describe the bug
I've been trying to build dbcsr for CP2K using LLVM's new Fortran compiler (flang). It is doable as long as
-ffree-formis passed as the Fortran compilation flag. Unfortunately, I could not build CP2K with the dbcsr installed bymake install. Only two of the.modfiles have been copied into the targetincludedirectory. Unfortunately, Flang needs all of them when using dbcsr's Fortran modules. The workaround is to copy them module files manually, but this is a hassle for an inexperienced user, so it's worth sorting out.To Reproduce
Steps to reproduce the behavior:
Expected behavior
Easily usable dbcsr installation.
Environment:
Makefile.inc):