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CMakeLists

The document outlines the setup for a Fortran project, including source files for various libraries and executables related to pseudopotential conversion. It specifies the inclusion of CUDA support, linking with necessary libraries, and defining properties for executables. Additionally, it establishes a custom target for building utilities related to pseudopotential conversion.

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0% found this document useful (0 votes)
5 views3 pages

CMakeLists

The document outlines the setup for a Fortran project, including source files for various libraries and executables related to pseudopotential conversion. It specifies the inclusion of CUDA support, linking with necessary libraries, and defining properties for executables. Additionally, it establishes a custom target for building utilities related to pseudopotential conversion.

Uploaded by

hn mn
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as TXT, PDF, TXT or read online on Scribd
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set(src_upflib

atom.f90
atomic_number.f90
dqvan2.f90
gen_us_dj.f90
gen_us_dy.f90
init_us_0.f90
init_us_b0.f90
init_us_1.f90
init_tab_atwfc.f90
beta_mod.f90
interp_atwfc.f90
init_us_2_acc.f90
gth.f90
paw_variables.f90
pseudo_types.f90
qvan2.f90
radial_grids.f90
read_cpmd.f90
read_fhi.f90
read_ncpp.f90
read_ps.f90
read_psml.f90
read_upf_new.f90
read_upf_v1.f90
read_uspp.f90
spinor.f90
sph_ind.f90
sph_bes.f90
splinelib.f90
simpsn.f90
upf_auxtools.f90
upf_const.f90
upf_error.f90
upf_invmat.f90
upf_io.f90
upf_ions.f90
upf_kinds.f90
upf_spinorb.f90
upf_params.f90
upf_parallel_include.f90
upf_to_internal.f90
upf_utils.f90
uspp.f90
uspp_data.f90
uspp_param.f90
vloc_mod.f90
rhoc_mod.f90
rhoat_mod.f90
qrad_mod.f90
write_upf_new.f90
ylmr2.f90
dylmr2.f90
# GPU
ylmr2_gpu.f90)
qe_enable_cuda_fortran("${src_upflib}")

qe_add_library(qe_xml xmltools.f90 dom.f90 wxml.f90)


target_compile_definitions(qe_xml PRIVATE __XML_STANDALONE)
qe_add_library(qe_upflib ${src_upflib})
target_link_libraries(qe_upflib
PUBLIC
qe_openacc_fortran
qe_xml
PRIVATE
qe_mpi_fortran
qe_lapack
qe_utilx)

##############################################################
# virtual_v2.x
##############################################################
set(src_virtual_v2_x virtual_v2.f90)
qe_add_executable(qe_upflib_virtual_v2_exe ${src_virtual_v2_x})
set_target_properties(qe_upflib_virtual_v2_exe
PROPERTIES
OUTPUT_NAME virtual_v2.x)
target_link_libraries(qe_upflib_virtual_v2_exe
PRIVATE
qe_upflib)

###########################################################
# upfconv.x
###########################################################
set(src_upfconv_x
upfconv.f90
casino_pp.f90 )
qe_add_executable(qe_upflib_upfconv_exe ${src_upfconv_x})
set_target_properties(qe_upflib_upfconv_exe
PROPERTIES
OUTPUT_NAME upfconv.x)
target_link_libraries(qe_upflib_upfconv_exe
PRIVATE
qe_upflib)

###########################################################
# casino2upf.x
###########################################################
set(src_casino2upf_x
casino2upf.f90
casino_pp.f90 )
qe_add_executable(qe_upflib_casino2upf_exe ${src_casino2upf_x})
set_target_properties(qe_upflib_casino2upf_exe
PROPERTIES
OUTPUT_NAME casino2upf.x)
target_link_libraries(qe_upflib_casino2upf_exe
PRIVATE
qe_upflib)

###########################################################
# hgh2qe.x
###########################################################
qe_add_executable(qe_upflib_hgh2qe_exe hgh2qe.f90)
set_target_properties(qe_upflib_hgh2qe_exe
PROPERTIES
OUTPUT_NAME hgh2qe.x)
############################################################################
qe_install_targets(qe_xml
qe_upflib
qe_upflib_virtual_v2_exe
qe_upflib_upfconv_exe
qe_upflib_casino2upf_exe
qe_upflib_hgh2qe_exe)

add_custom_target(upf
DEPENDS
#Library
qe_upflib
#Executables
qe_upflib_virtual_v2_exe
qe_upflib_upfconv_exe
COMMENT
"utilities for pseudopotential conversion")

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