mirror of https://gitlab.com/QEF/q-e.git
112 lines
3.0 KiB
CMake
112 lines
3.0 KiB
CMake
set(src_xspectra
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src/gaunt_mod.f90
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src/xspectra_mod.f90
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src/xspectra_utils.f90
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src/radin_mod.f90
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src/mygetK.f90
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src/ipoolscatter.f90
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src/lr_sm1_psi.f90
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src/read_k_points.f90
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src/reset_k_points_and_reinit.f90
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src/select_nl_init.f90
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src/lanczos.f90
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src/plot_xanes_cross_sections.f90
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src/xanes_dipole_general_edge.f90
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src/banner_xspectra.f90
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src/set_xspectra_namelists_defaults.f90
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src/read_input_and_bcast.f90
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src/stdout_routines.f90
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src/xanes_dipole.f90
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src/check_orthogonality_k_epsilon.f90
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src/assign_paw_radii_to_species.f90
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src/io_routines.f90
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src/xanes_quadrupole.f90)
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set(src_gipaw
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src/paw_gipaw.f90
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src/init_gipaw_1.f90
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src/init_gipaw_2.f90)
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qe_add_library(qe_xspectra_gipaw ${src_gipaw})
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target_link_libraries(qe_xspectra_gipaw
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PRIVATE
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qe_pw
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qe_modules
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qe_upflib
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qe_fftx
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qe_xclib)
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qe_add_library(qe_xspectra ${src_xspectra})
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target_link_libraries(qe_xspectra
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PRIVATE
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qe_pw
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qe_xspectra_gipaw
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qe_modules
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qe_upflib
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qe_fftx
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qe_xclib)
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###########################################################
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# xspectra.x
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###########################################################
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set(sources src/xspectra.f90)
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qe_add_executable(qe_xspectra_exe ${sources})
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set_target_properties(qe_xspectra_exe
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PROPERTIES
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OUTPUT_NAME xspectra.x)
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target_link_libraries(qe_xspectra_exe
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PRIVATE
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qe_pw
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qe_modules
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qe_xspectra
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qe_xspectra_gipaw
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qe_upflib)
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###########################################################
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# spectra_correction.x
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###########################################################
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set(src_spectra_correction_x src/spectra_correction.f90)
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qe_add_executable(qe_xspectra_spectracorrection_exe ${src_spectra_correction_x})
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set_target_properties(qe_xspectra_spectracorrection_exe
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PROPERTIES
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OUTPUT_NAME spectra_correction.x)
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target_link_libraries(qe_xspectra_spectracorrection_exe
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PRIVATE
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qe_modules
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qe_xspectra
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qe_xspectra_gipaw
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qe_pw
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qe_upflib)
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###########################################################
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# molecularnexafs.x
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###########################################################
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set(src_molecularnexafs_x src/molecularnexafs.f90)
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qe_add_executable(qe_xspectra_molecularnexafs_exe ${src_molecularnexafs_x})
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set_target_properties(qe_xspectra_molecularnexafs_exe
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PROPERTIES
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OUTPUT_NAME molecularnexafs.x)
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target_link_libraries(qe_xspectra_molecularnexafs_exe
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PRIVATE
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qe_xspectra
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qe_xspectra_gipaw)
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###########################################################
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qe_install_targets(
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# Libraries
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qe_xspectra_gipaw
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qe_xspectra
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# Executables
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qe_xspectra_exe
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qe_xspectra_spectracorrection_exe
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qe_xspectra_molecularnexafs_exe)
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add_custom_target(xspectra
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DEPENDS
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qe_xspectra_exe
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qe_xspectra_spectracorrection_exe
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qe_xspectra_molecularnexafs_exe
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COMMENT
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"X-ray core-hole spectroscopy calculations")
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