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#!-------------------------------------------------------------------------------------------------!
#! CP2K: A general program to perform molecular dynamics simulations !
#! Copyright 2000-2025 CP2K developers group <https://cp2k.org> !
#! !
#! SPDX-License-Identifier: GPL-2.0-or-later !
#!-------------------------------------------------------------------------------------------------!
# Copyright (c) 2022- ETH Zurich
#
# authors : Mathieu Taillefumier
include(FindPackageHandleStandardArgs)
include(cp2k_utils)
cp2k_set_default_paths(SCALAPACK "SCALAPACK")
# check if we have mkl as blas library or not and pick the scalapack from mkl
# distro if found
if(NOT CP2K_CONFIG_PACKAGE)
if(CP2K_SCALAPACK_VENDOR MATCHES "MKL|auto"
AND TARGET cp2k::BLAS::MKL::scalapack_link)
# we have mkl check for the different mkl target
get_target_property(
CP2K_SCALAPACK_LINK_LIBRARIES cp2k::BLAS::MKL::scalapack_link
INTERFACE_LINK_LIBRARIES)
set(CP2K_SCALAPACK_FOUND yes)
elseif(CP2K_SCALAPACK_VENDOR MATCHES "SCI|auto"
AND TARGET cp2k::BLAS::SCI::scalapack_link)
get_target_property(
CP2K_SCALAPACK_LINK_LIBRARIES cp2k::BLAS::SCI::scalapack_link
INTERFACE_LINK_LIBRARIES)
set(CP2K_SCALAPACK_FOUND yes)
else() # if(CP2K_SCALAPACK_VENDOR MATCHES "GENERIC|auto")
if(TARGET cp2k::BLAS::MKL::scalapack_link)
message(
WARNING
"-----------------------------------------------------------------"
"- FindScalapack warning -"
"-----------------------------------------------------------------"
"\n"
"You may want to use mkl implementation of scalapack. To do this\n"
"add -DCP2K_SCALAPACK_VENDOR=MKL to the cmake command line.\n")
elseif(TARGET cp2k::BLAS::SCI::scalapack_link)
message(
WARNING
"-----------------------------------------------------------------"
"- FindScalapack warning -"
"-----------------------------------------------------------------"
"\n"
"You may want to use Cray implementation of scalapack. To do this\n"
"add -DCP2K_SCALAPACK_VENDOR=SCI to the cmake command line\n\n")
endif()
# try to detect location with pkgconfig
find_package(PkgConfig QUIET)
if(PKG_CONFIG_FOUND)
pkg_check_modules(CP2K_SCALAPACK IMPORTED_TARGET GLOBAL "scalapack")
endif()
# this should be enough for detecting scalapack compiled by hand. If
# scalapack is vendor specific then we sahould have a target blas::scalapack
# available. it removes the problem of modifying too many files when we add
# a vendor specific blas/lapack/scalapack implementation
if(CP2K_USE_MPI)
if(NOT CP2K_SCALAPACK_FOUND)
if("${MPI_Fortran_LIBRARY_VERSION_STRING}" MATCHES "Open MPI")
cp2k_find_libraries(SCALAPACK "scalapack-openmpi")
else()
cp2k_find_libraries(SCALAPACK "scalapack-mpich")
endif()
endif()
endif()
if(NOT CP2K_SCALAPACK_FOUND)
cp2k_find_libraries(SCALAPACK "scalapack")
endif()
endif()
endif()
# cleanup list (regularly contains empty items)
list(FILTER CP2K_SCALAPACK_LINK_LIBRARIES EXCLUDE REGEX "^$")
# check if found
find_package_handle_standard_args(SCALAPACK
REQUIRED_VARS CP2K_SCALAPACK_LINK_LIBRARIES)
# prevent clutter in cache
# add target to link against
if(NOT TARGET cp2k::SCALAPACK::scalapack)
add_library(cp2k::SCALAPACK::scalapack INTERFACE IMPORTED)
endif()
set_property(TARGET cp2k::SCALAPACK::scalapack
PROPERTY INTERFACE_LINK_LIBRARIES ${CP2K_SCALAPACK_LINK_LIBRARIES})
mark_as_advanced(CP2K_SCALAPACK_LINK_LIBRARIES)
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