![]() Suitable qcengine could not be located, Building qcengine instead. Suitable qcelemental could not be located, Building qcelemental instead. Suitable Libint2 could not be located, Building Libint2 5-4-3-6-5-4 instead. Could NOT find Libint2 (missing: Libint2_DIR) Suitable gau2grid could not be located, Building gau2grid instead. Found pybind11: /home/prasanta/Software/psi4/objdir/stage/include (found version 2.7.0) Through the 'source' option on the download website page. MKL is freelyĪvailable through conda see instructions to compile against conda MKL Tests in threaded mode, if you plan to run Psi4 threaded. When using a non-MKLĭistribution, please run the test suite in full and also run particular Modules or when running in threaded mode. Several others are mostly fine, with problems cropping up in particular MKL is the only BLAS/LAPACK distribution thoroughly tested with Psi4. ĬMake Warning at external/common/lapack/CMakeLists.txt:50 (message): Found LAPACK: /usr/lib/x86_64-linux-gnu/liblapack.so. Found OpenMP: TRUE found components: CXX Detecting MathOpenMP - ?OpenMP=ON, ?MKL=, LANG=CXX, C/CXX/Fortran=GNU/GNU/ Psi4 staging: /home/prasanta/Software/psi4/objdir/stage Found Python 3.8: /usr/bin/python3.8 (found version 3.8.10) Setting option BUILD_Libint2_GENERATOR: OFF Setting option SPHINX_THEME: sphinx_psi_theme Setting option CMAKE_INSTALL_MESSAGE: LAZY Setting option CMAKE_INSTALL_LIBDIR: lib Setting option CMAKE_BUILD_TYPE: Release Setting option ENABLE_BOUNDS_CHECK: OFF Setting option ENABLE_CODE_COVERAGE: OFF Performing Test CMAKE_CXX_FLAGS - Success, Appending Performing Test CMAKE_C_FLAGS - Success, Appending Setting option ENABLE_PLUGIN_TESTING: OFF cmake did not show error, as per I understand.What is the issue? I did install python3-gau2grid prior to make. "/home/prasanta/Software/psi4/objdir/external/upstream/gau2grid/gau2grid_external-prefix/src/gau2grid_external-build/gau2grid/gau2grid.h": Building C object CMakeFiles/gg.dir/gau2grid_helper.c.oĬMake Error at cmake_install.cmake:41 (file): Building C object CMakeFiles/gg.dir/gau2grid_transform.c.o Building C object CMakeFiles/gg.dir/gau2grid_deriv3.c.o Building C object CMakeFiles/gg.dir/gau2grid_deriv2.c.o ![]() Building C object CMakeFiles/gg.dir/gau2grid_deriv1.c.o Building C object CMakeFiles/gg.dir/gau2grid_orbital.c.o Building C object CMakeFiles/gg.dir/gau2grid_phi.c.o Generating gau2grid/gau2grid.h, gau2grid_orbital.c, gau2grid_phi.c, gau2grid_deriv1.c, gau2grid_deriv2.c, gau2grid_deriv3.c, gau2grid_transform.c, gau2grid_helper.c Performing install step for 'gau2grid_external' It showed error, again I issued only make, which showed the following error. Hi there, I am new to build and tried to build Psi4 1.4 from the source obtained from Git.Īt the top directory, I have issued the following commands. ![]()
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