By default, pymolcas is installed in the first writable directory in the user's PATH. This patch places it in the bin/ directory alongside the other OpenMolcas binaries. The default search for the OpenBLAS library is obviated and the directory name is supplied as an argument to CMake. diff --git OpenMolcas-v18.09/CMakeLists.txt OpenMolcas-v18.09/CMakeLists.txt index a4071fd..53d8df5 100644 --- OpenMolcas-v18.09/CMakeLists.txt +++ OpenMolcas-v18.09/CMakeLists.txt @@ -1338,42 +1338,8 @@ if (LINALG STREQUAL "OpenBLAS") endif () # search for the OpenBLAS library - find_library (LIBOPENBLAS - NAMES openblas - PATHS ${OPENBLASROOT} - PATH_SUFFIXES lib - NO_DEFAULT_PATH) - - if (NOT LIBOPENBLAS) - message (FATAL_ERROR - "OpenBLAS library not found, please check that " - "the OPENBLASROOT variable is set and points to " - "a valid OpenBLAS installation directory." - ) - endif () - - # here we check if LIBOPENBLAS has changed after it was processed - # succesfully, if not we do not need to rerun anything here. - if (NOT LIBOPENBLAS STREQUAL LIBOPENBLAS_LAST) - # check if the OpenBLAS library contains LAPACK functionality - message ("-- Checking OpenBLAS for LAPACK functionality...") - include(CheckFortranFunctionExists) - set (CMAKE_REQUIRED_LIBRARIES ${LIBOPENBLAS}) - unset (OPENBLAS_WITH_LAPACK CACHE) - check_fortran_function_exists("dsyev" OPENBLAS_WITH_LAPACK) - if (NOT OPENBLAS_WITH_LAPACK) - unset (LIBOPENBLAS CACHE) - message (FATAL_ERROR - "LAPACK functionality missing from OpenBLAS library, " - "please build OpenBLAS with NO_LAPACK=0 defined." - ) - endif () - # save the last location to check if it changed between configurations - set (LIBOPENBLAS_LAST ${LIBOPENBLAS} CACHE INTERNAL "last value." FORCE) - endif () - add_definitions (-D_OPENBLAS_) - set (LINALG_LIBRARIES ${LIBOPENBLAS}) + set (LINALG_LIBRARIES ${LINALG_LIBRARIES}) else () mark_as_advanced(FORCE OPENBLASROOT) endif () @@ -3167,11 +3168,10 @@ install (PROGRAMS if (DEFINED PYMOLCAS_TARGET) install (PROGRAMS ${PYMOLCAS_TARGET} - DESTINATION ${CMAKE_INSTALL_PREFIX}/sbin + DESTINATION ${CMAKE_INSTALL_PREFIX}/bin RENAME pymolcas ) - install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET})") endif () if (DEFINED EXTRA_DIR) @@ -3188,9 +3189,5 @@ if (DEFINED EXTRA_DIR) DESTINATION ${CMAKE_INSTALL_PREFIX}/bin ) - install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER})") endif () -if (IS_DIRECTORY "$ENV{HOME}/.Molcas") - install (CODE "execute_process(COMMAND sh \"-c\" \"cd ${CMAKE_INSTALL_PREFIX}; echo `pwd` > $HOME/.Molcas/molcas 2> /dev/null\")") -endif () diff --git OpenMolcas-v18.09/Tools/pymolcas/CMakeLists.txt OpenMolcas-v18.09/Tools/pymolcas/CMakeLists.txt index 0d576fa..f9ba6d7 100644 --- OpenMolcas-v18.09/Tools/pymolcas/CMakeLists.txt +++ OpenMolcas-v18.09/Tools/pymolcas/CMakeLists.txt @@ -52,9 +52,5 @@ if (PYTHONINTERP_FOUND) DEPENDS ${PYMOLCAS_TARGET} ) - add_custom_command (TARGET pymolcas - POST_BUILD - COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET} - ) endif ()