-- The C compiler identification is GNU 5.4.0 -- The CXX compiler identification is GNU 5.4.0 -- Check for working C compiler: /usr/bin/cc -- Check for working C compiler: /usr/bin/cc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Detecting C compile features -- Detecting C compile features - done -- Check for working CXX compiler: /usr/bin/c++ -- Check for working CXX compiler: /usr/bin/c++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Detecting CXX compile features -- Detecting CXX compile features - done -- The Fortran compiler identification is GNU 5.4.0 -- Check for working Fortran compiler: /usr/bin/gfortran -- Check for working Fortran compiler: /usr/bin/gfortran -- works -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Checking whether /usr/bin/gfortran supports Fortran 90 -- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes -- Enabling Fortran -- Setting (unspecified) option BUILD_SHARED_LIBS: OFF -- Setting (unspecified) option ENABLE_OPENMP: ON -- Setting (unspecified) option ENABLE_AUTO_BLAS: ON -- Setting (unspecified) option ENABLE_AUTO_LAPACK: ON -- Setting (unspecified) option ENABLE_PLUGIN_TESTING: OFF -- Setting (unspecified) option ENABLE_XHOST: ON -- Performing Test CMAKE_C_FLAGS [-xHost] - Failed -- Performing Test CMAKE_C_FLAGS [-march=native] - Success, Appending -- Performing Test CMAKE_CXX_FLAGS [-xHost] - Failed -- Performing Test CMAKE_CXX_FLAGS [-march=native] - Success, Appending -- Performing Test CMAKE_Fortran_FLAGS [-xHost] - Failed -- Performing Test CMAKE_Fortran_FLAGS [-march=native] - Success, Appending -- Setting (unspecified) option ENABLE_CODE_COVERAGE: OFF -- Setting (unspecified) option ENABLE_BOUNDS_CHECK: OFF -- Setting (unspecified) option ENABLE_ASAN: OFF -- Setting (unspecified) option ENABLE_TSAN: OFF -- Setting (unspecified) option ENABLE_UBSAN: OFF -- Setting (unspecified) option ENABLE_MSAN: OFF -- Setting (unspecified) option MAX_AM_ERI: 5 -- Setting (unspecified) option CMAKE_BUILD_TYPE: Release -- Setting (unspecified) option FC_SYMBOL: 2 -- Setting (unspecified) option BUILD_FPIC: ON -- Setting (unspecified) option CMAKE_INSTALL_LIBDIR: lib -- Setting (unspecified) option PYMOD_INSTALL_LIBDIR: / -- Setting (unspecified) option ENABLE_GENERIC: OFF -- Setting (unspecified) option CMAKE_INSTALL_MESSAGE: LAZY -- Setting (unspecified) option psi4_CXX_STANDARD: 11 -- Setting (unspecified) option SIMINT_VECTOR: avx -- Setting (unspecified) option SPHINX_THEME: sphinx_psi_theme -- Psi4 install: /usr/local/psi4 -- Found PythonInterp: /usr/bin/python2.7 (found suitable version "2.7.12", minimum required is "2.7") -- Found PythonLibs: /usr/lib/x86_64-linux-gnu/libpython2.7.so -- Found Python 2.7: /usr/bin/python2.7 (found version 2.7.12) -- Math lib search order is MKL;OPENBLAS;ESSL;ATLAS;ACML;SYSTEM_NATIVE -- You can select a specific type by defining for instance -D BLAS_TYPE=ATLAS or -D LAPACK_TYPE=ACML -- or by redefining MATH_LIB_SEARCH_ORDER -- Found BLAS: MKL (/home/john/anaconda3/lib/libmkl_rt.so) -- Found LAPACK: MKL (/home/john/anaconda3/lib/libmkl_rt.so) -- Detecting MathOpenMP -- ?OpenMP=ON, ?MKL= MKL, LANG=CXX, C/CXX/Fortran=GNU/GNU/GNU -- Found TargetOpenMP: 1 found components: CXX -- Found MathOpenMP: Found MathOpenMP: /home/john/anaconda3/lib/libiomp5.so;-Wl,--as-needed -- Properties for TARGET OpenMP::OpenMP_C: OpenMP::OpenMP_C.INTERFACE_COMPILE_DEFINITIONS = OpenMP::OpenMP_C.INTERFACE_COMPILE_OPTIONS = "-fopenmp" OpenMP::OpenMP_C.INTERFACE_INCLUDE_DIRS = OpenMP::OpenMP_C.INTERFACE_LINK_LIBRARIES = "/usr/lib/gcc/x86_64-linux-gnu/5/libgomp.so;/usr/lib/x86_64-linux-gnu/libpthread.so" Properties for TARGET OpenMP::OpenMP_CXX: OpenMP::OpenMP_CXX.INTERFACE_COMPILE_DEFINITIONS = OpenMP::OpenMP_CXX.INTERFACE_COMPILE_OPTIONS = "-fopenmp" OpenMP::OpenMP_CXX.INTERFACE_INCLUDE_DIRS = OpenMP::OpenMP_CXX.INTERFACE_LINK_LIBRARIES = "/usr/lib/gcc/x86_64-linux-gnu/5/libgomp.so;/usr/lib/x86_64-linux-gnu/libpthread.so" Properties for TARGET OpenMP::OpenMP_Fortran: OpenMP::OpenMP_Fortran.INTERFACE_COMPILE_DEFINITIONS = OpenMP::OpenMP_Fortran.INTERFACE_COMPILE_OPTIONS = "-fopenmp" OpenMP::OpenMP_Fortran.INTERFACE_INCLUDE_DIRS = OpenMP::OpenMP_Fortran.INTERFACE_LINK_LIBRARIES = "/usr/lib/gcc/x86_64-linux-gnu/5/libgomp.so;/usr/lib/x86_64-linux-gnu/libpthread.so" Properties for TARGET OpenMP::OpenMP: OpenMP::OpenMP.INTERFACE_COMPILE_DEFINITIONS = OpenMP::OpenMP.INTERFACE_COMPILE_OPTIONS = OpenMP::OpenMP.INTERFACE_INCLUDE_DIRS = OpenMP::OpenMP.INTERFACE_LINK_LIBRARIES = "OpenMP::OpenMP_CXX" Properties for TARGET tgt::MathOpenMP: tgt::MathOpenMP.INTERFACE_COMPILE_DEFINITIONS = tgt::MathOpenMP.INTERFACE_COMPILE_OPTIONS = tgt::MathOpenMP.INTERFACE_INCLUDE_DIRS = tgt::MathOpenMP.INTERFACE_LINK_LIBRARIES = "/home/john/anaconda3/lib/libiomp5.so;-Wl,--as-needed;OpenMP::OpenMP" Properties for TARGET lapack: lapack.INTERFACE_COMPILE_DEFINITIONS = "USING_LAPACK_MKL" lapack.INTERFACE_COMPILE_OPTIONS = lapack.INTERFACE_INCLUDE_DIRS = lapack.INTERFACE_LINK_LIBRARIES = "lapk;blas;tgt::MathOpenMP" -- Found LAPACK MKL: /home/john/anaconda3/lib/libmkl_rt.so;... -- Suitable pybind11 could not be located, Building pybind11 instead. -- Suitable gau2grid could not be located, Building gau2grid instead. -- Suitable Libint could not be located, Building Libint instead. -- Suitable PCMSolver could not be located, Building PCMSolver instead. -- Suitable Libxc could not be located, Building Libxc instead. -- No Doxygen, no docs. -- No LaTeX (incl. pdflatex), no PDF docs. Pre-built documentation at http://psicode.org/psi4manual/master/index.html -- No theme, no docs (try: conda install sphinx-psi-theme cloud_sptheme sphinx-automodapi graphviz python-graphviz -c conda-forge -c psi4) -- Adding test cases: Psi4 -- Adding test cases: Psi4 + PCMSolver -- Running some tests requires pytest. Please install it manually (try: /usr/bin/python2.7 -m pip install pytest) -- Configuring done -- Generating done -- Build files have been written to: /home/john/psi4pcmbuild