[CP2K-user] [CP2K:20166] Re: Fail to compile SIRIUS by toolchain in WSL Ubuntu 20.04 LTS

[Johann Pototschnig]

Dear all,

The problem is a missing package:

sudo apt-get install pkg-config


On Saturday, February 25, 2023 at 4:14:53 PM UTC+1 ahxb wrote:

> Dear all,
> I'm trying to build CP2K 2023.1 in WSL Ubuntu 20.04 LTS by 
> tools/toolchain/install_cp2k_toolchain.sh in my laptop. I use the following 
> command:
>
> ./install_cp2k_toolchain.sh --with-gcc=install --with-openmpi=install 
> --math-mode=openblas --mpi-mode=openmpi --with-pexsi=install 
> --with-quip=install --with-plumed=install --with-libtorch=install 
> --with-sirius=install -j 12
>
> Everything is OK until compiling SIRIUS. The toolchain returns an error as 
> following:
> -- Found GSL: cp2k-2023.1/tools/toolchain/install/gsl-2.7/include (found 
> version "2.7")
> CMake Error at 
> cp2k-2023.1/tools/toolchain/install/cmake-3.25.1/share/cmake-3.25/Modules/FindPackageHandleStandardArgs.cmake:230 
> (message):
>   Could NOT find PkgConfig (missing: PKG_CONFIG_EXECUTABLE)
> Call Stack (most recent call first):
>   
> cp2k-2023.1/tools/toolchain/install/cmake-3.25.1/share/cmake-3.25/Modules/FindPackageHandleStandardArgs.cmake:600 
> (_FPHSA_FAILURE_MESSAGE)
>   
> cp2k-2023.1/tools/toolchain/install/cmake-3.25.1/share/cmake-3.25/Modules/FindPkgConfig.cmake:99 
> (find_package_handle_standard_args)
>   cmake/modules/FindLibXC.cmake:2 (find_package)
>   CMakeLists.txt:139 (find_package)
>
>
> -- Configuring incomplete, errors occurred!
> See also 
> "cp2k-2023.1/tools/toolchain/build/SIRIUS-7.3.2/build/CMakeFiles/CMakeOutput.log".
> make: *** src: No such file or directory.  Stop.
> ERROR: (./scripts/stage8/install_sirius.sh, line 158) Non-zero exit code 
> detected.
> By reading CMakeLists.txt and cmake/modules/FindLibXC.cmake in 
> build/SIRIUS-7.3.2, I think the error happen when Cmake is trying to detect 
> LibXC. I found that there are many find_package lines in CMakeLists.txt. 
> After testing, I find LibXC (in line 139), SCALAPACK (in line 188), 
> LibVDWXC (in line 202), and costa (in line 205) all can cause previous 
> error, but other packages (gsl, libspg, elpa and hdf5) don't.
> How to fix this error?
>

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