[CP2K-user] [CP2K:18493] Fail to compile SIRIUS by toolchain in WSL Ubuntu 20.04 LTS

ahxb zhuhong850 at gmail.com
Sat Feb 25 15:14:53 UTC 2023

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 

./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 
-- Found GSL: cp2k-2023.1/tools/toolchain/install/gsl-2.7/include (found 
version "2.7")
CMake Error at 
  Could NOT find PkgConfig (missing: PKG_CONFIG_EXECUTABLE)
Call Stack (most recent call first):
  cmake/modules/FindLibXC.cmake:2 (find_package)
  CMakeLists.txt:139 (find_package)

-- Configuring incomplete, errors occurred!
See also 
make: *** src: No such file or directory.  Stop.
ERROR: (./scripts/stage8/install_sirius.sh, line 158) Non-zero exit code 
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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