diff -up OpenMolcas-v22.02-f8df69cf87b241a15ebc82d72a8f9a031a385dd4/CMakeLists.txt.fedora OpenMolcas-v22.02-f8df69cf87b241a15ebc82d72a8f9a031a385dd4/CMakeLists.txt
--- OpenMolcas-v22.02-f8df69cf87b241a15ebc82d72a8f9a031a385dd4/CMakeLists.txt.fedora 2022-02-10 21:22:31.000000000 +0000
+++ OpenMolcas-v22.02-f8df69cf87b241a15ebc82d72a8f9a031a385dd4/CMakeLists.txt 2022-02-15 14:43:34.505733464 +0000
@@ -418,17 +418,7 @@ message ("-- ADDRMODE: ${ADDRMODE}")
# platform settings
if (${CMAKE_SYSTEM_NAME} STREQUAL "Linux")
add_compile_definitions (_LINUX_)
- if (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "x86" OR
- ${CMAKE_SYSTEM_PROCESSOR} STREQUAL "i686")
- set (PLATFORM "LINUX")
- elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "x86_64")
- set (PLATFORM "LINUX64")
- elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ia64")
- set (PLATFORM "LINUX64_IA")
- elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc_64" OR
- ${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc64le")
- set (PLATFORM "PPC64")
- endif ()
+ set (PLATFORM "LINUX")
elseif (${CMAKE_SYSTEM_NAME} STREQUAL "Darwin")
add_compile_definitions (_LINUX_ _DARWIN_ _DARWIN_C_SOURCE)
set (CMAKE_MACOSX_RPATH 0)
@@ -485,38 +475,38 @@ 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 "-fno-aggressive-loop-optimizations") # Or Work is assumed to be 8 elements long
-set (FFLAGS_GNU_PREPROCESS "-cpp")
-set (FFLAGS_GNU_OPENMP "-fopenmp")
-set (FFLAGS_GNU_NO_OPENMP "-fmax-stack-var-size=1048576")
-set (FFLAGS_GNU_ILP64 "-fdefault-integer-8")
+#set (FFLAGS_GNU_BASIC "-fno-aggressive-loop-optimizations") # Or Work is assumed to be 8 elements long
+#set (FFLAGS_GNU_PREPROCESS "-cpp")
+#set (FFLAGS_GNU_OPENMP "-fopenmp")
+#set (FFLAGS_GNU_NO_OPENMP "-fmax-stack-var-size=1048576")
+#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 -frounding-math -fsignaling-nans")
-set (FFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall")
-set (FFLAGS_GNU_RELEASE "-O2")
-set (FFLAGS_GNU_FAST "-O3")
-set (FFLAGS_GNU_BOUNDS "-fsanitize=address -fno-omit-frame-pointer")
+#set (FFLAGS_GNU_DEBUG "-O0 -g -Wall")
+#set (FFLAGS_GNU_GARBLE "-O2 -g -Wall -finit-real=snan -finit-integer=730432726 -frounding-math -fsignaling-nans")
+#set (FFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall")
+#set (FFLAGS_GNU_RELEASE "-O2")
+#set (FFLAGS_GNU_FAST "-O3")
+#set (FFLAGS_GNU_BOUNDS "-fsanitize=address -fno-omit-frame-pointer")
set (MIN_GCC_VERSION "4.8")
if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU" AND
@@ -537,10 +527,10 @@ 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)
@@ -548,27 +538,27 @@ 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 "???")
#======================================#
@@ -1118,6 +1108,8 @@ if (HDF5)
message ("-- HDF5 not found, it will be deactivated")
endif ()
endif ()
+else()
+ message("HDF5 support not enabled")
endif ()
# BLAS/LAPACK settings
@@ -1339,66 +1331,14 @@ 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 ${OPENBLASROOT}
- PATH_SUFFIXES lib
- NO_DEFAULT_PATH
+ NAMES flexiblas64
)
if (NOT LIBOPENBLAS)
message (FATAL_ERROR
- "OpenBLAS library not found, please check that "
- "the OPENBLASROOT variable is set and points to "
- "a valid OpenBLAS installation directory.")
+ "OpenBLAS library not found, something is wrong.")
endif ()
# here we check if LIBOPENBLAS has changed after it was processed
@@ -2950,8 +2890,8 @@ add_custom_target (only_objs
)
# set up proper RPATH for executables, use RUNPATH if on Linux
-set (CMAKE_INSTALL_RPATH "${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")
# build the standard programs
foreach (prog ${progs})
@@ -3136,11 +3076,11 @@ endif ()
# find the molcas.driver script or use a dummy driver
if (DEFINED EXTRA_DIR)
set (MOLCAS_DRIVER "${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
- )
+# 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 ()
@@ -3184,10 +3124,10 @@ 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 ()
@@ -3195,12 +3135,12 @@ endif ()
if (DEFINED EXTRA_DIR)
file (WRITE ${PROJECT_BINARY_DIR}/xbin.cfg "PLATFORM = ${PLATFORM}\n")
- execute_process (
- COMMAND "${MOLCAS_DRIVER}" getemil
- WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
- ERROR_VARIABLE GETEMIL_DESCRIBE_ERROR
- RESULT_VARIABLE GETEMIL_DESCRIBE_RC
- )
+# execute_process (
+# COMMAND "${MOLCAS_DRIVER}" getemil
+# WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
+# ERROR_VARIABLE GETEMIL_DESCRIBE_ERROR
+# RESULT_VARIABLE GETEMIL_DESCRIBE_RC
+# )
if (GETEMIL_DESCRIBE_RC)
message (FATAL_ERROR "Failed to fetch Molcas binary: ${GETEMIL_DESCRIBE_ERROR}")
endif ()
@@ -3265,11 +3205,11 @@ if (Python_FOUND)
find_program (XMLLINT "xmllint")
mark_as_advanced (FORCE XMLLINT)
if (XMLLINT)
- execute_process (
- COMMAND ${XMLLINT} ${PROJECT_BINARY_DIR}/data/keyword.xml "-noout"
- ERROR_VARIABLE XMLLINT_ERROR
- RESULT_VARIABLE XMLLINT_RESULT
- )
+# execute_process (
+# COMMAND ${XMLLINT} ${PROJECT_BINARY_DIR}/data/keyword.xml "-noout"
+# ERROR_VARIABLE XMLLINT_ERROR
+# RESULT_VARIABLE XMLLINT_RESULT
+# )
if (XMLLINT_ERROR)
message (FATAL_ERROR "Extracted XML file is malformed: ${XMLLINT_ERROR}")
endif ()