Molcas Forum

hrgrimsl

Member

Registered: 2018-07-16

Posts: 8

Cmake Error

Does anyone know how to deal with the following error occurring on installation?

cmake ../OpenMolcas

Configuring compilers:
Detecting Molcas version info:
-- OPENMOLCAS_VERSION: v17.0.o171117-1800-1-g8cc88dc
Detecting system info:
-- OS: Linux-x86_64
-- ADDRMODE: 64
-- PLATFORM: LINUX64
Configuring HDF5 support:
-- HDF5: Using hdf5 compiler wrapper to determine C configuration
CMake Error at /usr/share/cmake-3.10/Modules/FindHDF5.cmake:252 (try_compile):
  Unknown extension ".cxx" for file

    /home/harper/build/CMakeFiles/hdf5/cmake_hdf5_test.cxx

  try_compile() works only for enabled languages.  Currently these are:

    C Fortran

  See project() command to enable other languages.
Call Stack (most recent call first):
  /usr/share/cmake-3.10/Modules/FindHDF5.cmake:543 (_HDF5_test_regular_compiler_CXX)
  CMakeLists.txt:1075 (find_package)


-- HDF5: Using hdf5 compiler wrapper to determine CXX configuration
-- HDF5_INCLUDE_PATH: /home/harper/psi4conda/include
-- HDF5_LIBRARIES: /home/harper/psi4conda/lib/libhdf5_cpp.so;/home/harper/psi4conda/lib/libhdf5.so;rt;pthread;/home/harper/psi4conda/lib/libz.so;dl;m
Configuring linear algebra libraries:
-- Using Molcas' LAPACK+BLAS libraries (SLOW!)
-- LINALG_LIBRARIES: lapack;blas
Gromacs interface DISABLED
BLOCK interface DISABLED
CHEMPS2 interface DISABLED
MSYM support DISABLED
DMRG support DISABLED
HDF5 F2003 interface DISABLED
Configuring NECI support:
-- Internal NECI ignored (source not available, run "/usr/bin/git submodule update --init /home/harper/OpenMolcas/External/NECI")
   An externally configured NECI can still be used
   Please use ExNEci command in your molcas input
EFP interface DISABLED
GEN1INT support DISABLED
libwfa support DISABLED
External GRID_IT DISABLED
Configuring runtime environment settings:
-- DEFMOLCASMEM:  2048
-- DEFMOLCASDISK: 20000
-- RUNSCRIPT:    $program $input
-- RUNBINARY:    $program
-- RUNBINARYSER: $program
Build type: Release
-- C compiler: /home/harper/psi4conda/bin/cc
-- C compiler flags:  -std=gnu99 -O2
-- Fortran compiler: /home/harper/psi4conda/bin/gfortran
-- Fortran compiler flags:  -cpp -fno-aggressive-loop-optimizations -fdefault-integer-8 -O2
-- Definitions: _MOLCAS_;_I8_;_LINUX_
-- Debug definitions: 
-- pymolcas: added to targets
Definitions: -D_MOLCAS_;-D_I8_;-D_LINUX_
Configuring documentation
-- LaTeX compiler: /usr/bin/latexmk
-- Default documentation format: pdf
-- LaTeX HTML converter: /usr/bin/latex2html
Install directory: /opt/molcas
-- Configuring incomplete, errors occurred!
See also "/home/harper/build/CMakeFiles/CMakeOutput.log".