fix compilation on macOS #34
Conversation
dependencies installed via Homebrew (armadillo gsl libxc)
| #!/bin/bash | ||
|
|
||
| # Installation directory | ||
| export target=$(pwd)/install # this installs the binaries under install/bin/ in the present directory | ||
|
|
||
| if [[ ! -d objdir ]]; then | ||
| mkdir objdir | ||
| fi | ||
| cd objdir | ||
|
|
||
| ARMAFLAGS="-DARMA_NO_DEBUG -DARMA_DONT_USE_WRAPPER -llapack -lblas" | ||
| export CXXFLAGS="-g -O2 -Wall -Wno-implicit-fallthrough -Wno-misleading-indentation ${ARMAFLAGS}" | ||
| cmake .. \ | ||
| -DUSE_OPENMP=ON \ | ||
| -DHELFEM_FIND_DEPS=ON \ | ||
| -DCMAKE_INSTALL_PREFIX=${target} \ | ||
| -DCMAKE_BUILD_TYPE=Release | ||
|
|
||
| make -j4 VERBOSE=1 install |
There was a problem hiding this comment.
No need for this file. Also, you appear to link to reference BLAS and LAPACK which is orders of magnitude slower than optimal versions. On Mac, I think the optimal library is Accelerate
There was a problem hiding this comment.
otool -L install/bin/gensap confirms that the above (-llapack -lblas) has resulted in
../install/bin/gensap:
/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libBLAS.dylib (compatibility version 1.0.0, current version 1.0.0)
/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLAPACK.dylib (compatibility version 1.0.0, current version 1.0.0)
There was a problem hiding this comment.
The following CMake.system
# macOS with dependencies installed via Homebrew
add_definitions(-DHELFEM_FIND_DEPS=ON)
#
# link_libraries() is not a perfect option:
# https://stackoverflow.com/questions/17070101/why-i-cannot-link-the-mac-framework-file-with-cmake
# Unfortunately,
# target_link_libraries(helfem PRIVATE "-framework Accelerate")
# cannot be used here, as it must occur after add_executable() or add_library().
# Pragmatically, the following does successfully link against the wrappers from Apple's Accelerate framework
# https://developer.apple.com/documentation/accelerate/blas
# if no other BLAS and LAPACK are installed:
link_libraries(blas lapack)
enables compilation on my good old MacBook Pro M1 using compile.sh.
Perhaps it could be useful to add as, e.g., CMake.macOS_with_Homebrew?
There was a problem hiding this comment.
You've added that file already, no? That one is OK. But this file duplicates compile.sh and is not necessary.
CMakeLists.txt
Outdated
| find_package(LibXc REQUIRED PATHS ".") | ||
| message("LibXc_FOUND=${LibXc_FOUND}") | ||
| message("LIBXC_INCLUDE_DIRS=${LIBXC_INCLUDE_DIRS}") | ||
| message("LIBXC_LIBRARIES=${LIBXC_LIBRARIES}") | ||
| message("LIBXC_INCLUDE_DIRS=${Libxc_INCLUDE_DIRS}") | ||
| message("LIBXC_LIBRARIES=${Libxc_LIBRARIES}") | ||
|
|
||
| include_directories("${HDF5_INCLUDE_DIRS}" "${LIBXC_INCLUDE_DIRS}") | ||
| link_libraries("${HDF5_LIBRARIES}" "${LIBXC_LIBRARIES}") | ||
| include_directories("${HDF5_INCLUDE_DIRS}" "${Libxc_INCLUDE_DIRS}") | ||
| link_libraries("${HDF5_LIBRARIES}" "${Libxc_LIBRARIES}") |
There was a problem hiding this comment.
This part was contributed by @mortenpi. On later examination, it looks like there is an issue with inconsistent capitalization. Libxc does have a working CMake system, as well. The usage should be something like
find_package(Libxc)
and the link should be against Libxc::xc
There was a problem hiding this comment.
Using -DHELFEM_FIND_DEPS=ON, I can confirm that find_package(Libxc) in CMakeLists.txt works fine with the Libxc-6.2.2 (currently available as stable bottle from Homebrew). Without the correct capitalization of Libxc_INCLUDE_DIRS and Libxc_LIBRARIES, cmake aborts:
LibXc_FOUND=1
LIBXC_INCLUDE_DIRS=
LIBXC_LIBRARIES=
CMake Error at CMakeLists.txt:85 (include_directories):
include_directories given empty-string as include directory.
dependencies installed via Homebrew (armadillo gsl libxc)