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add Einsums to build system (psi4#3050)
* einsumsdemo * leave fnocc alone * right einsums * what's wrong * zlib * clang * range * spell * finish off * more * Update ein_test.cc --------- Co-authored-by: Justin Turney <justin.turney@gmail.com>
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
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@@ -8,6 +8,7 @@ foreach(dir | |
| dkh | ||
| ecpint | ||
| libefp | ||
| einsums | ||
| erd | ||
| gau2grid | ||
| gdma | ||
|
|
||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,58 @@ | ||
| if(${ENABLE_Einsums}) | ||
| find_package(Einsums 0.3 CONFIG) | ||
|
|
||
| if(TARGET Einsums::einsums) | ||
| get_property(_loc TARGET Einsums::einsums PROPERTY LOCATION) | ||
| message(STATUS "${Cyan}Found Einsums${ColourReset}: ${_loc} (found version ${Einsums_VERSION})") | ||
| add_library(einsums_external INTERFACE) # dummy | ||
|
|
||
| # reset below necessary as find_package clears it. better solution sought | ||
| set(TargetHDF5_DIR ${STAGED_INSTALL_PREFIX}/share/cmake/TargetHDF5 CACHE PATH "path to externally detected TargetHDF5Config.cmake" FORCE) | ||
| else() | ||
| if(${CMAKE_INSIST_FIND_PACKAGE_Einsums}) | ||
| message(FATAL_ERROR "Suitable Einsums could not be externally located as user insists") | ||
| endif() | ||
|
|
||
| include(ExternalProject) | ||
| message(STATUS "Suitable Einsums could not be located, ${Magenta}Building Einsums${ColourReset} instead.") | ||
|
|
||
| if(${BUILD_SHARED_LIBS}) | ||
| set(_a_only OFF) | ||
| else() | ||
| set(_a_only ON) | ||
| endif() | ||
|
|
||
| set(_einsums_dir "share/cmake/Einsums") | ||
|
|
||
| ExternalProject_Add(einsums_external | ||
| DEPENDS lapack_external | ||
| hdf5_external | ||
| URL https://github.com/Einsums/Einsums/archive/v0.3.tar.gz | ||
| UPDATE_COMMAND "" | ||
| CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${STAGED_INSTALL_PREFIX} | ||
| -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} | ||
| -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} | ||
| -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER} | ||
| -DCMAKE_INSTALL_LIBDIR=${CMAKE_INSTALL_LIBDIR} | ||
| -DCMAKE_INSTALL_INCLUDEDIR=${CMAKE_INSTALL_INCLUDEDIR} | ||
| -DEINSUMS_STATIC_BUILD=${_a_only} | ||
| -DEXTRA_C_FLAGS=${CMAKE_C_FLAGS} | ||
| -DEXTRA_CXX_FLAGS=${CMAKE_CXX_FLAGS} | ||
| -DEINSUMS_INSTALL_CMAKEDIR=${_einsums_dir} | ||
| # -DENABLE_XHOST=${ENABLE_XHOST} | ||
| -DEINSUMS_ENABLE_TESTING=OFF | ||
| -DEINSUMS_USE_HPTT=ON | ||
| # -DOpenMP_LIBRARY_DIRS=${OpenMP_LIBRARY_DIRS} | ||
| -DTargetLAPACK_DIR=${TargetLAPACK_DIR} | ||
| -DTargetHDF5_DIR=${TargetHDF5_DIR} | ||
| -DCMAKE_OSX_DEPLOYMENT_TARGET=${CMAKE_OSX_DEPLOYMENT_TARGET} | ||
| -DCMAKE_OSX_SYSROOT=${CMAKE_OSX_SYSROOT} | ||
| CMAKE_CACHE_ARGS -DCMAKE_C_FLAGS:STRING=${CMAKE_C_FLAGS} | ||
| -DCMAKE_CXX_FLAGS:STRING=${CMAKE_CXX_FLAGS} | ||
| -DTargetOpenMP_FIND_COMPONENTS:STRING=C;CXX) | ||
|
|
||
| set(Einsums_DIR ${STAGED_INSTALL_PREFIX}/${_einsums_dir} CACHE PATH "path to internally built EinsumsConfig.cmake" FORCE) | ||
| endif() | ||
| else() | ||
| add_library(einsums_external INTERFACE) # dummy | ||
| endif() |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
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@@ -43,6 +43,7 @@ foreach(dir_name | |
| psimrcc | ||
| sapt | ||
| scfgrad | ||
| dummy_einsums | ||
| ) | ||
| add_subdirectory(${dir_name}) | ||
| endforeach () | ||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,29 @@ | ||
| list(APPEND sources | ||
| ein_test.cc | ||
| ) | ||
|
|
||
| if(TARGET Einsums::einsums) | ||
| psi4_add_module(bin dummy_einsums sources) | ||
| target_link_libraries( | ||
| dummy_einsums | ||
| PRIVATE | ||
| Einsums::einsums | ||
| ) | ||
| endif() | ||
|
|
||
| if(DEFINED ENV{CONDA_TOOLCHAIN_BUILD}) | ||
| if(APPLE) | ||
| # * possibly these should be exported from Einsums somehow | ||
| # * when using conda clang, compiling against an old SDK & | ||
| # an openmp symbols is absent | ||
| # * afaik, envvar above is defined when `conda activate envvar_w_compilers`. | ||
| # There's a CONDA_BACKUP_CONDA_TOOLCHAIN_BUILD envvar when not activated. | ||
| # So hopefully, this doesn't interfere with system compilers. | ||
| target_compile_definitions( | ||
| dummy_einsums | ||
| PUBLIC | ||
| _LIBCPP_DISABLE_AVAILABILITY | ||
| H5CPP_USE_OMP_ALIGNED_ALLOC | ||
| ) | ||
| endif() | ||
| endif() |
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