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}
+# )