I have a problem during the compilation of the QCMaquis module of the OpenMolcas software.
The output from CMake is given below. I'm trying to compile OpenMolcas with the following command:
CC=icc FC=ifort CXX=icpc LINALG=MKL GSL_LIBRARY=/usr/lib64/libgsl cmake ..
(the DMRG and NEVPT2 modules are then included via the 'ccmake' utility).
GSL is already installed on my machine as an ordinary OpenSuse package. Operating system is OpenSuse 15.4.
Please, could you recommend how to solve the problem? Should I install GSL and then pass somehow path to it to one of the scripts used to build OpenMolcas or QCMaquis?
Regards,
Alexander
Configuring compilers:
Detecting Molcas version info:
-- OPENMOLCAS_VERSION: v23.06-222-gef7063204
Detecting system info:
-- OS: Linux-x86_64
-- ADDRMODE: 64
-- PLATFORM: LINUX64
Configuring HDF5 support:
-- Found HDF5: /usr/lib64/libhdf5_cpp.so;/usr/lib64/libhdf5.so (found version "1.10.8") found components: C CXX
-- HDF5_INCLUDE_DIRS: /usr/include
-- HDF5_C_LIBRARIES: /usr/lib64/libhdf5.so
-- HDF5_CXX_LIBRARIES: /usr/lib64/libhdf5_cpp.so;/usr/lib64/libhdf5.so
Configuring linear algebra libraries:
-- Using internal LAPACK+BLAS libraries (SLOW!)
-- LINALG_LIBRARIES: lapack;blas
Configuring Libxc:
-- Configuring built-in Libxc
-- Libxc_INCLUDE_DIRS: /home/oleynichenko/OpenMolcas/build/External/Libxc_install/include
-- Libxc_LIBRARIES: xcf03;xc
Gromacs interface DISABLED
BLOCK interface DISABLED
CHEMPS2 interface DISABLED
DICE interface DISABLED
MSYM support DISABLED
Configuring QCMaquis DMRG support:
Check for cmake-configured HDF5
-- Could NOT find HDF5 (missing: HDF5_DIR)
Check for non-cmake-configured HDF5
-- Found HDF5: /usr/lib64/libhdf5.so (found version "1.10.8")
CMake Error at /home/oleynichenko/soft/cmake-3.19.3-Linux-x86_64/share/cmake-3.19/Modules/FindPackageHandleStandardArgs.cmake:218 (message):
Could NOT find GSL (missing: GSL_INCLUDE_DIR GSL_LIBRARY GSL_CBLAS_LIBRARY)
(found version "")
Call Stack (most recent call first):
/home/oleynichenko/soft/cmake-3.19.3-Linux-x86_64/share/cmake-3.19/Modules/FindPackageHandleStandardArgs.cmake:582 (_FPHSA_FAILURE_MESSAGE)
/home/oleynichenko/soft/cmake-3.19.3-Linux-x86_64/share/cmake-3.19/Modules/FindGSL.cmake:151 (find_package_handle_standard_args)
build/External/qcmaquis/CMakeLists.txt:169 (find_package)
-- Configuring incomplete, errors occurred!
See also "/home/oleynichenko/OpenMolcas/build/CMakeFiles/CMakeOutput.log".
make: *** [Makefile:5821: cmake_check_build_system] Error 1
Dear QCMaquis developers,
I have a problem during the compilation of the QCMaquis module of the OpenMolcas software. The output from CMake is given below. I'm trying to compile OpenMolcas with the following command:
CC=icc FC=ifort CXX=icpc LINALG=MKL GSL_LIBRARY=/usr/lib64/libgsl cmake .. (the DMRG and NEVPT2 modules are then included via the 'ccmake' utility). GSL is already installed on my machine as an ordinary OpenSuse package. Operating system is OpenSuse 15.4.
Please, could you recommend how to solve the problem? Should I install GSL and then pass somehow path to it to one of the scripts used to build OpenMolcas or QCMaquis?
Regards, Alexander
Configuring compilers: Detecting Molcas version info: -- OPENMOLCAS_VERSION: v23.06-222-gef7063204 Detecting system info: -- OS: Linux-x86_64 -- ADDRMODE: 64 -- PLATFORM: LINUX64 Configuring HDF5 support: -- Found HDF5: /usr/lib64/libhdf5_cpp.so;/usr/lib64/libhdf5.so (found version "1.10.8") found components: C CXX -- HDF5_INCLUDE_DIRS: /usr/include -- HDF5_C_LIBRARIES: /usr/lib64/libhdf5.so -- HDF5_CXX_LIBRARIES: /usr/lib64/libhdf5_cpp.so;/usr/lib64/libhdf5.so Configuring linear algebra libraries: -- Using internal LAPACK+BLAS libraries (SLOW!) -- LINALG_LIBRARIES: lapack;blas Configuring Libxc: -- Configuring built-in Libxc -- Libxc_INCLUDE_DIRS: /home/oleynichenko/OpenMolcas/build/External/Libxc_install/include -- Libxc_LIBRARIES: xcf03;xc Gromacs interface DISABLED BLOCK interface DISABLED CHEMPS2 interface DISABLED DICE interface DISABLED MSYM support DISABLED Configuring QCMaquis DMRG support: Check for cmake-configured HDF5 -- Could NOT find HDF5 (missing: HDF5_DIR) Check for non-cmake-configured HDF5 -- Found HDF5: /usr/lib64/libhdf5.so (found version "1.10.8")
CMake Error at /home/oleynichenko/soft/cmake-3.19.3-Linux-x86_64/share/cmake-3.19/Modules/FindPackageHandleStandardArgs.cmake:218 (message): Could NOT find GSL (missing: GSL_INCLUDE_DIR GSL_LIBRARY GSL_CBLAS_LIBRARY) (found version "") Call Stack (most recent call first): /home/oleynichenko/soft/cmake-3.19.3-Linux-x86_64/share/cmake-3.19/Modules/FindPackageHandleStandardArgs.cmake:582 (_FPHSA_FAILURE_MESSAGE) /home/oleynichenko/soft/cmake-3.19.3-Linux-x86_64/share/cmake-3.19/Modules/FindGSL.cmake:151 (find_package_handle_standard_args) build/External/qcmaquis/CMakeLists.txt:169 (find_package)
-- Configuring incomplete, errors occurred! See also "/home/oleynichenko/OpenMolcas/build/CMakeFiles/CMakeOutput.log". make: *** [Makefile:5821: cmake_check_build_system] Error 1