diff -up OpenMolcas-v19.11-0d9635ae238b52b977b259aa5f5cddc26e8a2a91/CMakeLists.txt.fedora OpenMolcas-v19.11-0d9635ae238b52b977b259aa5f5cddc26e8a2a91/CMakeLists.txt

--- OpenMolcas-v19.11-0d9635ae238b52b977b259aa5f5cddc26e8a2a91/CMakeLists.txt.fedora	2019-11-12 12:59:54.000000000 +0100

+++ OpenMolcas-v19.11-0d9635ae238b52b977b259aa5f5cddc26e8a2a91/CMakeLists.txt	2020-01-14 14:08:39.785948836 +0100

@@ -563,9 +563,16 @@ if (${CMAKE_SYSTEM_NAME} STREQUAL "Linux

                 set (PLATFORM "LINUX64")

         elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ia64")

                 set (PLATFORM "LINUX64_IA")

-        elseif ((${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc_64") OR

+        elseif ((${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc64") OR

+                (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc_64") OR

                 (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc64le"))

                 set (PLATFORM "PPC64")

+        elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "armv7l")

+                set (PLATFORM "LINUX_ARMV7")

+        elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "aarch64")

+                set (PLATFORM "LINUX_AARCH64")

+        elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "s390x")

+                set (PLATFORM "LINUX_S390X")

         endif ()

 elseif (${CMAKE_SYSTEM_NAME} STREQUAL "Darwin")

         add_definitions (-D_LINUX_ -D_DARWIN_)

@@ -621,35 +628,35 @@ endif ()

 # defines __GNUC__

 # C++ compiler

 list (APPEND SUPPORTED_CXX_COMPILERS "GNU")

-set (CXXFLAGS_GNU_BASIC "")

-set (CXXFLAGS_GNU_OPENMP "-fopenmp")

+#set (CXXFLAGS_GNU_BASIC "")

+#set (CXXFLAGS_GNU_OPENMP "-fopenmp")

 # build targets

-set (CXXFLAGS_GNU_DEBUG "-O0 -g -Wall")

-set (CXXFLAGS_GNU_GARBLE "-O2 -g -Wall")

-set (CXXFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall")

-set (CXXFLAGS_GNU_RELEASE "-O2")

-set (CXXFLAGS_GNU_FAST "-O2")

+#set (CXXFLAGS_GNU_DEBUG "-O0 -g -Wall")

+#set (CXXFLAGS_GNU_GARBLE "-O2 -g -Wall")

+#set (CXXFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall")

+#set (CXXFLAGS_GNU_RELEASE "-O2")

+#set (CXXFLAGS_GNU_FAST "-O2")

 # C compiler

 list (APPEND SUPPORTED_C_COMPILERS "GNU")

-set (CFLAGS_GNU_BASIC "-std=gnu99")

-set (CFLAGS_GNU_OPENMP "-fopenmp")

+#set (CFLAGS_GNU_BASIC "-std=gnu99")

+#set (CFLAGS_GNU_OPENMP "-fopenmp")

 # build targets

-set (CFLAGS_GNU_DEBUG "-O0 -g -Wall")

-set (CFLAGS_GNU_GARBLE "-O2 -g -Wall")

-set (CFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall")

-set (CFLAGS_GNU_RELEASE "-O2")

-set (CFLAGS_GNU_FAST "-O2")

+#set (CFLAGS_GNU_DEBUG "-O0 -g -Wall")

+#set (CFLAGS_GNU_GARBLE "-O2 -g -Wall")

+#set (CFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall")

+#set (CFLAGS_GNU_RELEASE "-O2")

+#set (CFLAGS_GNU_FAST "-O2")

 # Fortran compiler

 list (APPEND SUPPORTED_Fortran_COMPILERS "GNU")

-set (FFLAGS_GNU_BASIC "-cpp")

-set (FFLAGS_GNU_OPENMP "-fopenmp")

-set (FFLAGS_GNU_ILP64 "-fdefault-integer-8")

+#set (FFLAGS_GNU_BASIC "-cpp")

+#set (FFLAGS_GNU_OPENMP "-fopenmp")

+#set (FFLAGS_GNU_ILP64 "-fdefault-integer-8")

 # build targets

-set (FFLAGS_GNU_DEBUG "-O0 -g -Wall")

-set (FFLAGS_GNU_GARBLE "-O2 -g -Wall -finit-real=snan -finit-integer=730432726 -fno-unsafe-math-optimizations -frounding-math -fsignaling-nans")

-set (FFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall")

-set (FFLAGS_GNU_RELEASE "-O2")

-set (FFLAGS_GNU_FAST "-O3")

+#set (FFLAGS_GNU_DEBUG "-O0 -g -Wall")

+#set (FFLAGS_GNU_GARBLE "-O2 -g -Wall -finit-real=snan -finit-integer=730432726 -fno-unsafe-math-optimizations -frounding-math -fsignaling-nans")

+#set (FFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall")

+#set (FFLAGS_GNU_RELEASE "-O2")

+#set (FFLAGS_GNU_FAST "-O3")

 # Fix for GNU Fortran compiler version >= 4.8 to prevent wrong optimization

 # version check for Fortran doesn't work yet, assume it is the same as the C compiler GCC version

@@ -670,10 +677,10 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL "

         endif ()

 endif ()

-set (CXXFLAGS_GNU_BIGOT "-Wall -Wextra -Wpedantic -Werror")

-set (CFLAGS_GNU_BIGOT "-Wall -Wextra -Wpedantic -Werror")

-set (FFLAGS_GNU_BIGOT "-Wall -Wrealloc-lhs -Werror")

-set (GNU_TRAP "-ffpe-trap=invalid,zero,overflow")

+#set (CXXFLAGS_GNU_BIGOT "-Wall -Wextra -Wpedantic -Werror")

+#set (CFLAGS_GNU_BIGOT "-Wall -Wextra -Wpedantic -Werror")

+#set (FFLAGS_GNU_BIGOT "-Wall -Wrealloc-lhs -Werror")

+#set (GNU_TRAP "-ffpe-trap=invalid,zero,overflow")

 #======================================#

 # LLVM C frontend (Clang)

@@ -681,27 +688,27 @@ set (GNU_TRAP "-ffpe-trap=invalid,zero,o

 # defines __clang__

 # C++ compiler

 list (APPEND SUPPORTED_CXX_COMPILERS "Clang")

-set (CXXFLAGS_Clang_BASIC "-std=gnu99")

-set (CXXFLAGS_Clang_OPENMP "-fopenmp")

+#set (CXXFLAGS_Clang_BASIC "-std=gnu99")

+#set (CXXFLAGS_Clang_OPENMP "-fopenmp")

 # build targets

-set (CXXFLAGS_Clang_DEBUG "-O0 -g -Wall")

-set (CXXFLAGS_Clang_GARBLE "-O2 -g -Wall")

-set (CXXFLAGS_Clang_RELWITHDEBINFO "-O2 -g -Wall")

-set (CXXFLAGS_Clang_RELEASE "-O2")

-set (CXXFLAGS_Clang_FAST "-O2")

+#set (CXXFLAGS_Clang_DEBUG "-O0 -g -Wall")

+#set (CXXFLAGS_Clang_GARBLE "-O2 -g -Wall")

+#set (CXXFLAGS_Clang_RELWITHDEBINFO "-O2 -g -Wall")

+#set (CXXFLAGS_Clang_RELEASE "-O2")

+#set (CXXFLAGS_Clang_FAST "-O2")

 # C compiler

-list (APPEND SUPPORTED_C_COMPILERS "Clang")

-set (CFLAGS_Clang_BASIC "-std=gnu99")

-set (CFLAGS_Clang_OPENMP "-fopenmp")

+#list (APPEND SUPPORTED_C_COMPILERS "Clang")

+#set (CFLAGS_Clang_BASIC "-std=gnu99")

+#set (CFLAGS_Clang_OPENMP "-fopenmp")

 # build targets

-set (CFLAGS_Clang_DEBUG "-O0 -g -Wall")

-set (CFLAGS_Clang_GARBLE "-O2 -g -Wall")

-set (CFLAGS_Clang_RELWITHDEBINFO "-O2 -g -Wall")

-set (CFLAGS_Clang_RELEASE "-O2")

-set (CFLAGS_Clang_FAST "-O2")

+#set (CFLAGS_Clang_DEBUG "-O0 -g -Wall")

+#set (CFLAGS_Clang_GARBLE "-O2 -g -Wall")

+#set (CFLAGS_Clang_RELWITHDEBINFO "-O2 -g -Wall")

+#set (CFLAGS_Clang_RELEASE "-O2")

+#set (CFLAGS_Clang_FAST "-O2")

-set (CXXFLAGS_Clang_BIGOT "-Wall -Werror")

-set (CFLAGS_Clang_BIGOT "-Wall -Werror")

+#set (CXXFLAGS_Clang_BIGOT "-Wall -Werror")

+#set (CFLAGS_Clang_BIGOT "-Wall -Werror")

 #set (Clang_TRAP "???")

 #======================================#

@@ -710,35 +717,35 @@ set (CFLAGS_Clang_BIGOT "-Wall -Werror")

 # defines __INTEL_COMPILER

 # C++ compiler

 list (APPEND SUPPORTED_CXX_COMPILERS "Intel")

-set (CXXFLAGS_Intel_BASIC "")

-set (CXXFLAGS_Intel_OPENMP "-qopenmp")

+#set (CXXFLAGS_Intel_BASIC "")

+#set (CXXFLAGS_Intel_OPENMP "-qopenmp")

 # build targets

-set (CXXFLAGS_Intel_DEBUG "-debug -w3")

-set (CXXFLAGS_Intel_GARBLE "-O2 -debug -w3")

-set (CXXFLAGS_Intel_RELWITHDEBINFO "-O2 -debug -w3")

-set (CXXFLAGS_Intel_RELEASE "-O2")

-set (CXXFLAGS_Intel_FAST "-O2")

+#set (CXXFLAGS_Intel_DEBUG "-debug -w3")

+#set (CXXFLAGS_Intel_GARBLE "-O2 -debug -w3")

+#set (CXXFLAGS_Intel_RELWITHDEBINFO "-O2 -debug -w3")

+#set (CXXFLAGS_Intel_RELEASE "-O2")

+#set (CXXFLAGS_Intel_FAST "-O2")

 # C compiler

 list (APPEND SUPPORTED_C_COMPILERS "Intel")

-set (CFLAGS_Intel_BASIC "-std=gnu99")

-set (CFLAGS_Intel_OPENMP "-qopenmp")

+#set (CFLAGS_Intel_BASIC "-std=gnu99")

+#set (CFLAGS_Intel_OPENMP "-qopenmp")

 # build targets

-set (CFLAGS_Intel_DEBUG "-debug -w3")

-set (CFLAGS_Intel_GARBLE "-O2 -debug -w3")

-set (CFLAGS_Intel_RELWITHDEBINFO "-O2 -debug -w3")

-set (CFLAGS_Intel_RELEASE "-O2")

-set (CFLAGS_Intel_FAST "-O2")

+#set (CFLAGS_Intel_DEBUG "-debug -w3")

+#set (CFLAGS_Intel_GARBLE "-O2 -debug -w3")

+#set (CFLAGS_Intel_RELWITHDEBINFO "-O2 -debug -w3")

+#set (CFLAGS_Intel_RELEASE "-O2")

+#set (CFLAGS_Intel_FAST "-O2")

 # Fortran compiler

 list (APPEND SUPPORTED_Fortran_COMPILERS "Intel")

-set (FFLAGS_Intel_BASIC "-fpp")

-set (FFLAGS_Intel_OPENMP "-qopenmp")

-set (FFLAGS_Intel_ILP64 "-i8 -r8 -heap-arrays")

+#set (FFLAGS_Intel_BASIC "-fpp")

+#set (FFLAGS_Intel_OPENMP "-qopenmp")

+#set (FFLAGS_Intel_ILP64 "-i8 -r8 -heap-arrays")

 # build targets

-set (FFLAGS_Intel_DEBUG "-debug -traceback -warn all,nodeclarations")

-set (FFLAGS_Intel_GARBLE "-O2 -debug -traceback -warn all,nodeclarations -check all,nobounds,noarg_temp_created")

-set (FFLAGS_Intel_RELWITHDEBINFO "-O2 -debug -traceback -warn all,nodeclarations")

-set (FFLAGS_Intel_RELEASE "-O2 -traceback")

-set (FFLAGS_Intel_FAST "-fast")

+#set (FFLAGS_Intel_DEBUG "-debug -traceback -warn all,nodeclarations")

+#set (FFLAGS_Intel_GARBLE "-O2 -debug -traceback -warn all,nodeclarations -check all,nobounds,noarg_temp_created")

+#set (FFLAGS_Intel_RELWITHDEBINFO "-O2 -debug -traceback -warn all,nodeclarations")

+#set (FFLAGS_Intel_RELEASE "-O2 -traceback")

+#set (FFLAGS_Intel_FAST "-fast")

 # Intel versions prior to 15 used -openmp

 if (CMAKE_CXX_COMPILER_ID STREQUAL "Intel" AND

@@ -1381,69 +1388,15 @@ if (LINALG STREQUAL "OpenBLAS")

         message ("-- Using OpenBLAS LAPACK+BLAS libraries")

         # find out what OPENBLASROOT is

-        mark_as_advanced(CLEAR OPENBLASROOT)

-        if (OPENBLASROOT STREQUAL "")

-                set (OPENBLASROOT $ENV{OPENBLASROOT} CACHE PATH "OpenBLAS root directory." FORCE)

-                if (NOT OPENBLASROOT)

-                        message (FATAL_ERROR

-                                "You must set environment variable OPENBLASROOT, "

-                                "or specify -DOPENBLASROOT=/path/to/openblas_dir "

-                                "when running cmake."

-                                )

-                endif ()

-        endif ()

-        # at this point, OPENBLASROOT should be defined and not empty

-        message ("-- OPENBLASROOT = ${OPENBLASROOT}")

-

-        # here we check if OPENBLASROOT has changed after it was last used

-        # succesfully, if so then we need to reprocess the checks here.

-        if (NOT OPENBLASROOT STREQUAL OPENBLASROOT_LAST)

-                # we need to redo the library search later, because OPENBLASROOT

-                # changed since the last time we defined it.

-                unset (LIBOPENBLAS CACHE)

-                # check if the configuration header is available

-                set (OPENBLAS_CONFIG "${OPENBLASROOT}/include/openblas_config.h")

-                if (NOT EXISTS ${OPENBLAS_CONFIG})

-                     # for system-wide OpenBLAS installations the config path might be different

-                     # so try with an alternative path

-                     set (OPENBLAS_CONFIG "${OPENBLASROOT}/include/openblas/openblas_config.h")

-                endif ()

-                if (NOT EXISTS ${OPENBLAS_CONFIG})

-                        message (FATAL_ERROR

-                                "Could not find OpenBLAS config header in: ${OPENBLASROOT} "

-                                "(tried ${OPENBLASROOT}/include/openblas_config.h and "

-                                "please check if the OPENBLASROOT variable points to a "

-                                "valid OpenBLAS installation directory."

-                                )

-                endif ()

-                # check if the OpenBLAS installation was configured with 64bit integer support

-                message ("-- Checking OpenBLAS for 64-bit integer interface...")

-                include(CheckSymbolExists)

-                unset (OPENBLAS_WITH_ILP64 CACHE)

-                check_symbol_exists("OPENBLAS_USE64BITINT" ${OPENBLAS_CONFIG} OPENBLAS_WITH_ILP64)

-                if (ADDRMODE EQUAL 64 AND NOT OPENBLAS_WITH_ILP64)

-                        message (FATAL_ERROR

-                                "OpenBLAS was not configured for 64-bit integer interface, "

-                                "please build OpenBLAS with INTERFACE64=1 defined."

-                                )

-                endif ()

-                # save the last location to check if it changed between configurations

-                set (OPENBLASROOT_LAST ${OPENBLASROOT} CACHE INTERNAL "last value." FORCE)

-        endif ()

-

         # search for the OpenBLAS library

         find_library (LIBOPENBLAS

-                NAMES openblas

-                PATHS ${OPENBLASROOT}

-                PATH_SUFFIXES lib

-                NO_DEFAULT_PATH)

+	NAMES @OPENBLAS_LIBRARY@

+	)

         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."

-                        )

+                  "OpenBLAS library not found, something is wrong." 

+                )

         endif ()

         # here we check if LIBOPENBLAS has changed after it was processed

@@ -2769,8 +2722,8 @@ if (BIGOT AND (${CMAKE_BUILD_TYPE} STREQ

 endif ()

 # set up proper RPATH for executables, use RUNPATH if on Linux

-set (CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")

-set (CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE)

+#set (CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")

+#set (CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE)

 foreach (prog ${progs})

         # FIXME: Actual program target only depends on main file now, but if

@@ -2969,14 +2922,14 @@ endif ()

 # find the molcas.driver script or use a dummy driver

 if (DEFINED EXTRA_DIR)

         set (MOLCAS_DRIVER "${EXTRA_DIR}/sbin/molcas.driver")

-        execute_process (

-                COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER}

-                WORKING_DIRECTORY ${PROJECT_BINARY_DIR}

-                RESULT_VARIABLE INSTALL_DRIVER_RC

-                )

-        if (INSTALL_DRIVER_RC)

-                message (FATAL_ERROR "Failed to install the Molcas driver")

-        endif ()

+#        execute_process (

+#                COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER}

+#                WORKING_DIRECTORY ${PROJECT_BINARY_DIR}

+#                RESULT_VARIABLE INSTALL_DRIVER_RC

+#                )

+#        if (INSTALL_DRIVER_RC)

+#                message (FATAL_ERROR "Failed to install the Molcas driver")

+#        endif ()

 else ()

         set (MOLCAS_DRIVER "${OPENMOLCAS_DIR}/sbin/dummy.driver")

         # if molcas-extra is not available, enforce building pymolcas

@@ -3008,10 +2961,10 @@ endif ()

 # install git hooks

 if (EXISTS ${GIT})

         foreach (BASE_DIR ${basedirs})

-                execute_process (

-                        COMMAND "${OPENMOLCAS_DIR}/sbin/install_hooks.sh" "${BASE_DIR}"

-                        WORKING_DIRECTORY ${BASE_DIR}

-                        )

+#                execute_process (

+#                        COMMAND "${OPENMOLCAS_DIR}/sbin/install_hooks.sh" "${BASE_DIR}"

+#                        WORKING_DIRECTORY ${BASE_DIR}

+#                        )

         endforeach ()

 endif ()

@@ -3260,7 +3213,7 @@ if (DEFINED PYMOLCAS_TARGET)

                 RENAME pymolcas

                 )

-        install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET})")

+#        install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET})")

 endif ()

 install (DIRECTORY

@@ -3289,7 +3242,7 @@ if (DEFINED EXTRA_DIR)

                 DESTINATION ${CMAKE_INSTALL_PREFIX}/bin

                 )

-        install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER})")

+#        install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER})")

 endif ()

 if (IS_DIRECTORY "$ENV{HOME}/.Molcas")

diff -up OpenMolcas-v19.11-0d9635ae238b52b977b259aa5f5cddc26e8a2a91/Tools/pymolcas/CMakeLists.txt.fedora OpenMolcas-v19.11-0d9635ae238b52b977b259aa5f5cddc26e8a2a91/Tools/pymolcas/CMakeLists.txt

--- OpenMolcas-v19.11-0d9635ae238b52b977b259aa5f5cddc26e8a2a91/Tools/pymolcas/CMakeLists.txt.fedora	2020-01-14 14:03:24.878647459 +0100

+++ OpenMolcas-v19.11-0d9635ae238b52b977b259aa5f5cddc26e8a2a91/Tools/pymolcas/CMakeLists.txt	2020-01-14 14:04:21.233196124 +0100

@@ -53,7 +53,7 @@ add_custom_target (pymolcas ALL

         DEPENDS ${PYMOLCAS_TARGET}

         )

-add_custom_command (TARGET pymolcas

-POST_BUILD

-        COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET}

-        )

+#add_custom_command (TARGET pymolcas

+#POST_BUILD

+#        COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET}

+#        )