mirror of https://gitlab.com/QEF/q-e.git
119 lines
3.5 KiB
CMake
119 lines
3.5 KiB
CMake
set(sources_xclib
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dft_setting_routines.f90
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dft_setting_params.f90
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qe_constants.f90
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qe_dft_list.f90
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qe_drivers_d_gga.f90
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qe_drivers_d_lda_lsda.f90
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qe_drivers_gga.f90
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qe_drivers_lda_lsda.f90
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qe_drivers_mgga.f90
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qe_funct_corr_gga.f90
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qe_funct_corr_lda_lsda.f90
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qe_funct_exch_gga.f90
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qe_funct_exch_lda_lsda.f90
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qe_funct_mgga.f90
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qe_kind.f90
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xclib_error.f90
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xclib_utils_and_para.f90
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xc_beef_interface.f90
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xc_lib.f90
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xc_wrapper_d_gga.f90
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xc_wrapper_d_lda_lsda.f90
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xc_wrapper_gga.f90
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xc_wrapper_lda_lsda.f90
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xc_wrapper_mgga.f90)
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qe_add_library(qe_xclib ${sources_xclib})
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target_link_libraries(qe_xclib
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PUBLIC
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qe_openacc_fortran
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PRIVATE
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qe_openmp_fortran
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qe_mpi_fortran
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qe_external_libxc
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qe_libbeef)
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###########################################################
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# libbeef target
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# Note: Moving it to a subdirectory XClib/libbeef is prefered.
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# But the legacy Makefile is hard to handle.
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###########################################################
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set(sources_libbeef
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pbecor.c
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beefun.c)
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qe_add_library(qe_libbeef ${sources_libbeef})
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target_link_libraries(qe_libbeef
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PUBLIC
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qe_openacc_c
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PRIVATE
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qe_lapack)
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###########################################################
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# xc_infos.x
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###########################################################
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set(sources_xc_infos
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qe_dft_refs.f90
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xc_infos.f90)
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qe_add_executable(qe_xc_infos ${sources_xc_infos})
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set_target_properties(qe_xc_infos
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PROPERTIES
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OUTPUT_NAME qe_xc_infos.x
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RUNTIME_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/bin)
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target_link_libraries(qe_xc_infos
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PRIVATE
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qe_external_libxc
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qe_xclib)
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###########################################################
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qe_install_targets(
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# Libraries
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qe_xclib
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qe_libbeef
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# Executables
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qe_xc_infos
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)
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###########################################################
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# xclib_test.x
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###########################################################
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if(QE_ENABLE_TEST)
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set(sources_xc_ltest
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qe_dft_refs.f90
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xclib_test.f90)
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qe_add_executable(qe_xclib_test ${sources_xc_ltest})
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set_target_properties(qe_xclib_test
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PROPERTIES
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OUTPUT_NAME qe_xclib_test.x
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RUNTIME_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/bin)
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target_link_libraries(qe_xclib_test
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PRIVATE
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qe_openmp_fortran
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qe_mpi_fortran
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qe_upflib
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qe_external_libxc
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qe_libbeef
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qe_xclib)
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find_program(BASH_PROGRAM bash)
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if(NOT BASH_PROGRAM)
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message(WARNING "bash not found! Tests under ${CMAKE_CURRENT_SOURCE_DIR} not added.")
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else()
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set(test_input_file_names_no_extension exe_test gen_test test_all_terms test_all_shorts)
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file(CREATE_LINK ${CMAKE_CURRENT_SOURCE_DIR}/test_input_files/all_terms.xml
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${CMAKE_CURRENT_BINARY_DIR}/all_terms.xml SYMBOLIC)
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file(CREATE_LINK ${CMAKE_CURRENT_SOURCE_DIR}/test_input_files/all_shorts.xml
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${CMAKE_CURRENT_BINARY_DIR}/all_shorts.xml SYMBOLIC)
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foreach(file_name_no_extension IN LISTS test_input_file_names_no_extension)
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add_unit_test(test_qe_xclib_${file_name_no_extension} 1 1 ${BASH_PROGRAM} -c
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"$<TARGET_FILE:qe_xclib_test> < ${CMAKE_CURRENT_SOURCE_DIR}/test_input_files/${file_name_no_extension}.in")
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endforeach()
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#additional dependency
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set_tests_properties(test_qe_xclib_exe_test PROPERTIES DEPENDS test_qe_xclib_gen_test)
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endif()
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endif(QE_ENABLE_TEST)
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