Hey,
I pulled resent changes from Psi4 repo. Unfortunately, I am running into some issues while compiling the package on Linux. Here is the error message:
-- extracting... [rename] -- extracting... [clean up] -- extracting... done [ 74%] No update step for 'libint2_external' [ 76%] No patch step for 'libint2_external' [ 78%] Performing configure step for 'libint2_external' loading initial cache file /home/eve/psi4_updated/objdir/external/upstream/libint2/libint2_external-prefix/tmp/libint2_external-cache-Release.cmake -- The CXX compiler identification is GNU 7.3.0 -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /home/eve/miniconda3/envs/p4dev/bin/x86_64-conda_cos6-linux-gnu-g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Version: Full 2.7.0-beta.6 Numeric 2.7.0 -- SO Version: Full 2:3:0 Major 2 -- Setting option CMAKE_BUILD_TYPE: Release -- Setting option BUILD_SHARED: OFF -- Setting option BUILD_STATIC: ON -- Setting option ENABLE_CXX11API: ON -- Setting option ENABLE_FORTRAN: OFF -- Setting (unspecified) option BUILD_TESTING: ON -- Setting option LIBINT2_SHGAUSS_ORDERING: gaussian -- Setting option LIBINT2_CARTGAUSS_ORDERING: standard (read-only from generation-time) -- Setting option LIBINT2_SHELL_SET: standard (read-only from generation-time) -- Setting option ENABLE_XHOST: ON -- Performing Test CMAKE_CXX_FLAGS [-xHost] - Failed -- Performing Test CMAKE_CXX_FLAGS [-march=native] - Failed -- Performing Test CMAKE_CXX_FLAGS [/arch:AVX2] - Failed CMake Warning at cmake/psi4OptionsTools.cmake:71 (message): Option unfulfilled as none of -xHost;-march=native;/arch:AVX2 valid Call Stack (most recent call first): cmake/psi4OptionsTools.cmake:123 (add_C_or_CXX_flags) cmake/psi4OptionsTools.cmake:148 (add_CXX_flags) cmake/psi4OptionsTools.cmake:163 (add_flags) CMakeLists.txt:61 (option_with_flags) -- Setting option BUILD_FPIC: ON -- Setting option CMAKE_INSTALL_LIBDIR: lib -- Looking for posix_memalign -- Looking for posix_memalign - found CMake Error at /home/eve/miniconda3/envs/p4dev/share/cmake-3.18/Modules/FindPackageHandleStandardArgs.cmake:165 (message): Could NOT find MPFR (missing: MPFR_INCLUDE MPFR_LIBRARY MPFR_VERSION_OK) (Required is at least version "1.0.0") Call Stack (most recent call first): /home/eve/miniconda3/envs/p4dev/share/cmake-3.18/Modules/FindPackageHandleStandardArgs.cmake:458 (_FPHSA_FAILURE_MESSAGE) cmake/FindMPFR.cmake:84 (find_package_handle_standard_args) CMakeLists.txt:96 (find_package) -- Configuring incomplete, errors occurred! See also "/home/eve/psi4_updated/objdir/external/upstream/libint2/libint2_external-prefix/src/libint2_external-build/CMakeFiles/CMakeOutput.log". See also "/home/eve/psi4_updated/objdir/external/upstream/libint2/libint2_external-prefix/src/libint2_external-build/CMakeFiles/CMakeError.log". make[2]: *** [external/upstream/libint2/libint2_external-prefix/src/libint2_external-stamp/libint2_external-configure] Error 1 make[1]: *** [external/upstream/libint2/CMakeFiles/libint2_external.dir/all] Error 2 make: *** [all] Error 2
Do you have any suggestions how to solve this problem?