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| | 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 ()
|