mirror of https://gitlab.com/QEF/q-e.git
168 lines
4.0 KiB
CMake
168 lines
4.0 KiB
CMake
set(ks_headers
|
|
ks_solver_interfaces.h)
|
|
set (ks_include_dir ${CMAKE_CURRENT_BINARY_DIR}/include)
|
|
#FIXME maybe better to move this part to an helper function
|
|
foreach (in_h ${ks_headers})
|
|
get_filename_component(in_h_basename ${in_h} NAME_WE)
|
|
set (out_h "${ks_include_dir}/${in_h_basename}.fh")
|
|
qe_preprocess_source("${CMAKE_CURRENT_SOURCE_DIR}/${in_h}" ${out_h})
|
|
list (APPEND ks_out_headers ${out_h})
|
|
endforeach()
|
|
add_custom_target(qe_ks_headers
|
|
DEPENDS ${ks_out_headers}
|
|
VERBATIM )
|
|
|
|
set(src_davidson
|
|
Davidson_RCI/david_rci.f90
|
|
Davidson/cegterg.f90
|
|
Davidson/regterg.f90
|
|
# GPU
|
|
Davidson/regterg_gpu.f90
|
|
Davidson/cegterg_gpu.f90)
|
|
qe_enable_cuda_fortran("${src_davidson}")
|
|
|
|
set(src_davidson_rci
|
|
Davidson_RCI/david_rci.f90)
|
|
|
|
set(src_cg
|
|
CG/ccgdiagg.f90
|
|
CG/rcgdiagg.f90
|
|
# GPU
|
|
CG/rcgdiagg_gpu.f90
|
|
CG/ccgdiagg_gpu.f90)
|
|
qe_enable_cuda_fortran("${src_cg}")
|
|
|
|
set(src_ppcg
|
|
PPCG/ppcg_gamma.f90
|
|
PPCG/ppcg_k.f90
|
|
# GPU
|
|
PPCG/ppcg_gamma_gpu.f90
|
|
PPCG/ppcg_k_gpu.f90
|
|
PPCG/generic_cublas.f90)
|
|
qe_enable_cuda_fortran("${src_ppcg}")
|
|
|
|
set(src_dense
|
|
DENSE/rotate_HSpsi_gamma.f90
|
|
DENSE/rotate_HSpsi_k.f90
|
|
DENSE/rotate_wfc_gamma.f90
|
|
DENSE/rotate_wfc_k.f90
|
|
DENSE/rotate_xpsi_k.f90
|
|
DENSE/rotate_xpsi_gamma.f90
|
|
DENSE/gram_schmidt_k.f90
|
|
DENSE/gram_schmidt_gamma.f90
|
|
DENSE/rotate_driver.f90
|
|
# GPU
|
|
DENSE/rotate_HSpsi_gamma_gpu.f90
|
|
DENSE/rotate_HSpsi_k_gpu.f90
|
|
DENSE/rotate_wfc_gamma_gpu.f90
|
|
DENSE/rotate_xpsi_k_gpu.f90
|
|
DENSE/rotate_xpsi_gamma_gpu.f90
|
|
DENSE/gram_schmidt_k_gpu.f90
|
|
DENSE/gram_schmidt_gamma_gpu.f90
|
|
DENSE/rotate_wfc_k_gpu.f90
|
|
DENSE/rotate_driver_cuf.f90)
|
|
qe_enable_cuda_fortran("${src_dense}")
|
|
|
|
set(src_paro
|
|
ParO/bpcg_gamma.f90
|
|
ParO/bpcg_k.f90
|
|
ParO/paro_gamma.f90
|
|
ParO/pcg_gamma.f90
|
|
ParO/paro_k.f90
|
|
ParO/pcg_k.f90
|
|
ParO/paro_gamma_new.f90
|
|
ParO/paro_k_new.f90
|
|
# GPU
|
|
ParO/bpcg_gamma_gpu.f90
|
|
ParO/bpcg_k_gpu.f90
|
|
ParO/paro_gamma_new_gpu.f90
|
|
ParO/paro_k_new_gpu.f90)
|
|
qe_enable_cuda_fortran("${src_paro}")
|
|
|
|
set(src_rmmdiis
|
|
RMM/crmmdiagg.f90
|
|
RMM/rrmmdiagg.f90
|
|
# GPU
|
|
RMM/crmmdiagg_gpu.f90
|
|
RMM/rrmmdiagg_gpu.f90)
|
|
qe_enable_cuda_fortran("${src_rmmdiis}")
|
|
|
|
qe_add_library(qe_kssolver_davidson ${src_davidson})
|
|
target_link_libraries(qe_kssolver_davidson
|
|
PRIVATE
|
|
qe_device_lapack
|
|
qe_openacc_fortran
|
|
qe_openmp_fortran
|
|
qe_lax
|
|
qe_utilx
|
|
qe_mpi_fortran
|
|
qe_devxlib)
|
|
|
|
qe_add_library(qe_kssolver_davidsonrci ${src_davidson_rci})
|
|
target_link_libraries(qe_kssolver_davidsonrci
|
|
PRIVATE
|
|
qe_lax
|
|
qe_utilx
|
|
qe_mpi_fortran)
|
|
|
|
qe_add_library(qe_kssolver_cg ${src_cg})
|
|
target_link_libraries(qe_kssolver_cg
|
|
PRIVATE
|
|
qe_lax
|
|
qe_utilx
|
|
qe_mpi_fortran
|
|
qe_devxlib)
|
|
|
|
qe_add_library(qe_kssolver_ppcg ${src_ppcg})
|
|
target_link_libraries(qe_kssolver_ppcg
|
|
PRIVATE
|
|
qe_scalapack
|
|
qe_openmp_fortran
|
|
qe_lax
|
|
qe_utilx
|
|
qe_mpi_fortran)
|
|
|
|
qe_add_library(qe_kssolver_dense ${src_dense})
|
|
target_link_libraries(qe_kssolver_dense
|
|
PRIVATE
|
|
qe_lax
|
|
qe_utilx
|
|
qe_mpi_fortran
|
|
qe_devxlib)
|
|
target_include_directories(qe_kssolver_dense
|
|
PUBLIC
|
|
$<BUILD_INTERFACE:${ks_include_dir}>
|
|
$<INSTALL_INTERFACE:include/qe>
|
|
)
|
|
set_target_properties(qe_kssolver_dense
|
|
PROPERTIES PUBLIC_HEADER ${ks_out_headers}
|
|
)
|
|
add_dependencies(qe_kssolver_dense qe_ks_headers)
|
|
|
|
qe_add_library(qe_kssolver_paro ${src_paro})
|
|
target_link_libraries(qe_kssolver_paro
|
|
PRIVATE
|
|
qe_kssolver_dense
|
|
qe_lax
|
|
qe_utilx
|
|
qe_mpi_fortran)
|
|
|
|
qe_add_library(qe_kssolver_rmmdiis ${src_rmmdiis})
|
|
target_link_libraries(qe_kssolver_rmmdiis
|
|
PRIVATE
|
|
qe_lax
|
|
qe_utilx
|
|
qe_devxlib
|
|
qe_mpi_fortran )
|
|
|
|
###########################################################
|
|
|
|
qe_install_targets(
|
|
qe_kssolver_davidson
|
|
qe_kssolver_davidsonrci
|
|
qe_kssolver_cg
|
|
qe_kssolver_ppcg
|
|
qe_kssolver_paro
|
|
qe_kssolver_dense
|
|
qe_kssolver_rmmdiis)
|