mirror of https://gitlab.com/QEF/q-e.git
134 lines
3.2 KiB
CMake
134 lines
3.2 KiB
CMake
set(src_upflib
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atom.f90
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atomic_number.f90
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atwfc_mod.f90
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dqvan2.f90
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gen_us_dj.f90
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gen_us_dy.f90
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init_us_0.f90
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init_us_b0.f90
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init_us_1.f90
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beta_mod.f90
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init_us_2_acc.f90
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gth.f90
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paw_variables.f90
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pseudo_types.f90
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qvan2.f90
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radial_grids.f90
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read_cpmd.f90
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read_fhi.f90
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read_ncpp.f90
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read_ps.f90
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read_psml.f90
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read_upf_new.f90
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read_upf_v1.f90
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read_uspp.f90
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spinor.f90
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sph_ind.f90
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sph_bes.f90
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splinelib.f90
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simpsn.f90
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upf_auxtools.f90
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upf_const.f90
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upf_error.f90
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upf_invmat.f90
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upf_io.f90
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upf_ions.f90
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upf_kinds.f90
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upf_spinorb.f90
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upf_params.f90
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upf_parallel_include.f90
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upf_to_internal.f90
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upf_utils.f90
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uspp.f90
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uspp_param.f90
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vloc_mod.f90
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rhoc_mod.f90
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rhoat_mod.f90
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qrad_mod.f90
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write_upf_new.f90
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ylmr2.f90
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dylmr2.f90
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# GPU
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ylmr2_gpu.f90)
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qe_enable_cuda_fortran("${src_upflib}")
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qe_add_library(qe_xml xmltools.f90 dom.f90 wxml.f90)
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target_compile_definitions(qe_xml PRIVATE __XML_STANDALONE)
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qe_add_library(qe_upflib ${src_upflib})
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target_link_libraries(qe_upflib
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PUBLIC
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qe_openacc_fortran
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qe_xml
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PRIVATE
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qe_mpi_fortran
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qe_lapack
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qe_utilx)
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##############################################################
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# virtual_v2.x
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##############################################################
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set(src_virtual_v2_x virtual_v2.f90)
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qe_add_executable(qe_upflib_virtual_v2_exe ${src_virtual_v2_x})
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set_target_properties(qe_upflib_virtual_v2_exe
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PROPERTIES
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OUTPUT_NAME virtual_v2.x)
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target_link_libraries(qe_upflib_virtual_v2_exe
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PRIVATE
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qe_upflib)
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###########################################################
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# upfconv.x
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###########################################################
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set(src_upfconv_x
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upfconv.f90
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casino_pp.f90 )
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qe_add_executable(qe_upflib_upfconv_exe ${src_upfconv_x})
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set_target_properties(qe_upflib_upfconv_exe
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PROPERTIES
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OUTPUT_NAME upfconv.x)
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target_link_libraries(qe_upflib_upfconv_exe
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PRIVATE
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qe_upflib)
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###########################################################
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# casino2upf.x
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###########################################################
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set(src_casino2upf_x
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casino2upf.f90
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casino_pp.f90 )
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qe_add_executable(qe_upflib_casino2upf_exe ${src_casino2upf_x})
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set_target_properties(qe_upflib_casino2upf_exe
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PROPERTIES
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OUTPUT_NAME casino2upf.x)
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target_link_libraries(qe_upflib_casino2upf_exe
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PRIVATE
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qe_upflib)
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###########################################################
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# hgh2qe.x
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###########################################################
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qe_add_executable(qe_upflib_hgh2qe_exe hgh2qe.f90)
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set_target_properties(qe_upflib_hgh2qe_exe
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PROPERTIES
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OUTPUT_NAME hgh2qe.x)
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############################################################################
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qe_install_targets(qe_xml
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qe_upflib
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qe_upflib_virtual_v2_exe
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qe_upflib_upfconv_exe
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qe_upflib_casino2upf_exe
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qe_upflib_hgh2qe_exe)
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add_custom_target(upf
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DEPENDS
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#Library
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qe_upflib
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#Executables
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qe_upflib_virtual_v2_exe
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qe_upflib_upfconv_exe
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COMMENT
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"utilities for pseudopotential conversion")
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