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Zanthoxylum
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Fix: link K_Vectors/ReciprocalGrid sources into LCAO-side tests and add new DFPT objects to Makefile.Objects
The ReciprocalGrid refactor made K_Vectors polymorphic (its key function and the base vtable now live in klist.cpp / reciprocal_grid.cpp), so any test that instantiates K_Vectors (module_dm tests, deltaspin spin_constrain/template_helpers via spin_constrain.cpp, and init_dm_from_file via density_matrix_io.cpp) fails to link. Also register the five PR-added translation units (reciprocal_grid.cpp, little_group.cpp, read_inp_dfpt.cpp, dfpt_hamilt_shift.cpp, dfpt_kq_basis.cpp) in source/Makefile.Objects so the Intel Makefile build does not fail with undefined references.
1 parent 4f17ffd commit 5d927dc

4 files changed

Lines changed: 40 additions & 7 deletions

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‎source/Makefile.Objects‎

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Original file line numberDiff line numberDiff line change
@@ -212,6 +212,7 @@ OBJS_CELL=atom_pseudo.o\
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setup_nonlocal.o\
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klist.o\
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k_vector_utils.o\
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reciprocal_grid.o\
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cell_index.o\
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cell_tools.o\
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check_atomic_stru.o\
@@ -374,6 +375,8 @@ OBJS_HAMILT_OF=kedf_tf.o\
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evolve_ofdft.o\
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OBJS_DFPT=dfpt_metal.o\
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dfpt_hamilt_shift.o\
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dfpt_kq_basis.o\
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dfpt_pert.o\
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dfpt_phon.o\
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dfpt_pw.o\
@@ -564,6 +567,7 @@ OBJS_SYMMETRY=symm_other.o\
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symm_magnetic.o\
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symm_pricell.o\
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symm_rho.o\
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little_group.o\
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symmetry.o\
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OBJS_XC=xc_functional.o\
@@ -674,6 +678,7 @@ OBJS_IO=module_parameter/input_conv.o\
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module_parameter/read_inp_model.o\
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module_parameter/read_inp_postproc.o\
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module_parameter/read_inp_exx_dftu.o\
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module_parameter/read_inp_dfpt.o\
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module_parameter/read_inp_other.o\
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module_parameter/read_inp_out.o\
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module_parameter/read_set_globalv.o\

‎source/source_estate/module_dm/test/CMakeLists.txt‎

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@@ -10,43 +10,59 @@ endif()
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AddTest(
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TARGET MODULE_ESTATE_dm_io_test_serial
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LIBS parameter base device cell_info
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LIBS parameter base device cell_info symmetry
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SOURCES test_dm_io.cpp ../density_matrix.cpp ../density_matrix_io.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp
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${ABACUS_SOURCE_DIR}/source_cell/klist.cpp
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${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp
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${ABACUS_SOURCE_DIR}/source_cell/k_vector_utils.cpp
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${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp
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)
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AddTest(
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TARGET MODULE_ESTATE_dm_constructor_test
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LIBS parameter base device
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LIBS parameter base device symmetry
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SOURCES test_dm_constructor.cpp ../density_matrix.cpp ../density_matrix_io.cpp tmp_mocks.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp
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${ABACUS_SOURCE_DIR}/source_cell/klist.cpp
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${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp
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${ABACUS_SOURCE_DIR}/source_cell/k_vector_utils.cpp
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${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp
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)
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AddTest(
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TARGET MODULE_ESTATE_dm_init_test
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LIBS parameter base device
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LIBS parameter base device symmetry
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SOURCES test_dm_r_init.cpp ../density_matrix.cpp ../density_matrix_io.cpp tmp_mocks.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp
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${ABACUS_SOURCE_DIR}/source_cell/klist.cpp
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${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp
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${ABACUS_SOURCE_DIR}/source_cell/k_vector_utils.cpp
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${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp
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)
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AddTest(
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TARGET MODULE_ESTATE_dm_cal_DMR_test
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LIBS parameter base device
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LIBS parameter base device symmetry
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SOURCES test_cal_dm_r.cpp ../density_matrix.cpp ../density_matrix_io.cpp tmp_mocks.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp
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${ABACUS_SOURCE_DIR}/source_cell/klist.cpp
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${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp
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${ABACUS_SOURCE_DIR}/source_cell/k_vector_utils.cpp
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${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp
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)
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AddTest(

‎source/source_lcao/module_deltaspin/test/CMakeLists.txt‎

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Original file line numberDiff line numberDiff line change
@@ -11,20 +11,28 @@ AddTest(
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AddTest(
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TARGET MODULE_LCAO_deltaspin_spin_constrain_test
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LIBS base device parameter
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LIBS base device parameter symmetry
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SOURCES spin_constrain_test.cpp
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../spin_constrain.cpp
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../../../source_basis/module_ao/parallel_orbitals.cpp
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../../../source_cell/klist.cpp
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../../../source_cell/parallel_kpoints.cpp
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../../../source_cell/k_vector_utils.cpp
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../../../source_cell/reciprocal_grid.cpp
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)
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AddTest(
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TARGET MODULE_LCAO_deltaspin_template_helpers
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LIBS base device parameter
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LIBS base device parameter symmetry
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SOURCES template_helpers_test.cpp
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../spin_constrain.cpp
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../template_helpers.cpp
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../lambda_loop_helper.cpp
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../basic_funcs.cpp
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../../../source_cell/klist.cpp
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../../../source_cell/parallel_kpoints.cpp
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../../../source_cell/k_vector_utils.cpp
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../../../source_cell/reciprocal_grid.cpp
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)
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AddTest(

‎source/source_lcao/test/CMakeLists.txt‎

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Original file line numberDiff line numberDiff line change
@@ -5,7 +5,7 @@ abacus_disable_feature_definitions(__ROCM)
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if(ENABLE_LCAO)
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AddTest(
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TARGET MODULE_LCAO_init_dm_from_file_test
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LIBS parameter base device
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LIBS parameter base device symmetry
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SOURCES test_init_dm_from_file.cpp tmp_mocks.cpp
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${ABACUS_SOURCE_DIR}/source_estate/module_dm/density_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_estate/module_dm/density_matrix_io.cpp
@@ -21,6 +21,10 @@ AddTest(
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${ABACUS_SOURCE_DIR}/source_io/module_dm/write_dmr.cpp
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${ABACUS_SOURCE_DIR}/source_cell/ucell_io.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/output_hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_cell/klist.cpp
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${ABACUS_SOURCE_DIR}/source_cell/parallel_kpoints.cpp
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${ABACUS_SOURCE_DIR}/source_cell/k_vector_utils.cpp
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${ABACUS_SOURCE_DIR}/source_cell/reciprocal_grid.cpp
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)
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AddTest(

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