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Zanthoxylum
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Fix: link K_Vectors/ReciprocalGrid sources into tests broken by the ReciprocalGrid refactor
The ReciprocalGrid refactor (Phase 1-3 of this PR) made K_Vectors polymorphic: its vtable is now keyed on K_Vectors::renew and emitted in klist.cpp, and the base vtable lives in reciprocal_grid.cpp. Twelve test targets across estate/hsolver/stodft/io instantiate K_Vectors but never compiled those translation units, so they fail to link after the merge (masked until now by the earlier dftu.h compile break): - MODULE_ESTATE_elecstate_{print,base,pw,energy} - MODULE_PW_Sto_Hamilt_UTs - MODULE_HSOLVER_pw - MODULE_IO_write_bands (test_serial) - MODULE_IO_write_eig_occ_test / write_dos_pw / print_info / read_wf2rho_pw_test (already had klist.cpp, lacked reciprocal_grid.cpp) - MODULE_IO_write_dmk Mirrors the pattern already used by this PR's own klist/qlist tests: add klist.cpp + parallel_kpoints.cpp + k_vector_utils.cpp + reciprocal_grid.cpp to SOURCES and the symmetry lib to LIBS. Verified: full build green except MODULE_IO_numerical_basis_test (needs ENABLE_LCAO, unguarded on develop as well); the fixed tests pass under ctest; remaining local failures are environment artifacts (ScaLAPACK abort-stub, ELPA off).
1 parent b1f7f61 commit c42f4f2

5 files changed

Lines changed: 22 additions & 13 deletions

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source/source_estate/test/CMakeLists.txt

Lines changed: 8 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -31,20 +31,22 @@ AddTest(
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AddTest(
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TARGET MODULE_ESTATE_elecstate_print
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LIBS parameter base device
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LIBS parameter base device symmetry
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SOURCES elecstate_print_test.cpp ../elecstate_print.cpp ../occupy.cpp
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../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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)
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AddTest(
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TARGET MODULE_ESTATE_elecstate_base
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LIBS parameter base device
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LIBS parameter base device symmetry
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SOURCES elecstate_base_test.cpp ../elecstate.cpp ../elecstate_tools.cpp ../occupy.cpp ../../source_psi/psi.cpp
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../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp
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../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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)
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AddTest(
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TARGET MODULE_ESTATE_elecstate_pw
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LIBS parameter planewave_serial base device
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LIBS parameter planewave_serial base device symmetry
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SOURCES elecstate_pw_test.cpp
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../elecstate_pw.cpp
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../elecstate_pw_cal_tau.cpp
@@ -54,16 +56,18 @@ AddTest(
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../../source_lcao/module_deltaspin/spin_constrain.cpp
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../../source_psi/psi.cpp
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../../source_base/module_device/memory_op.cpp
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../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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)
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AddTest(
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TARGET MODULE_ESTATE_elecstate_energy
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LIBS parameter base device planewave_serial
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LIBS parameter base device planewave_serial symmetry
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SOURCES elecstate_energy_test.cpp
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../elecstate_energy.cpp
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../fp_energy.cpp
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../makov_payne.cpp
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../module_pot/h_hartree_pw.cpp
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../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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)
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AddTest(

source/source_hsolver/test/CMakeLists.txt

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Original file line numberDiff line numberDiff line change
@@ -75,9 +75,10 @@ if (ENABLE_MPI)
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AddTest(
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TARGET MODULE_HSOLVER_pw
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LIBS parameter psi device base container
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LIBS parameter psi device base container symmetry
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SOURCES test_hsolver_pw.cpp ../hsolver_pw.cpp ../hsolver_lcaopw.cpp ../diago_bpcg.cpp ../diago_dav_subspace.cpp ../diag_const_nums.cpp ../diago_iter_assist.cpp ../para_lin_tf.cpp
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../../source_estate/elecstate_tools.cpp ../../source_estate/occupy.cpp ../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp
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../../source_estate/elecstate_tools.cpp ../../source_estate/occupy.cpp ../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp
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../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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AddTest(

source/source_io/test/CMakeLists.txt

Lines changed: 7 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -64,7 +64,7 @@ AddTest(
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TARGET MODULE_IO_write_eig_occ_test
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LIBS parameter base device symmetry
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SOURCES write_eig_occ_test.cpp ../module_output/band_parallel_output.cpp ../module_energy/write_eig_occ.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/klist.cpp ../../source_cell/k_vector_utils.cpp
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../../source_cell/cif_io.cpp
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../../source_cell/cif_io.cpp ../../source_cell/reciprocal_grid.cpp
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AddTest(
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AddTest(
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TARGET MODULE_IO_write_dos_pw
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LIBS parameter base device symmetry
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SOURCES write_dos_pw_test.cpp ../module_dos/cal_dos.cpp ../module_dos/write_dos_pw.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/klist.cpp ../module_energy/nscf_fermi_surf.cpp ../../source_cell/k_vector_utils.cpp
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SOURCES write_dos_pw_test.cpp ../module_dos/cal_dos.cpp ../module_dos/write_dos_pw.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/klist.cpp ../module_energy/nscf_fermi_surf.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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)
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AddTest(
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TARGET MODULE_IO_print_info
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LIBS parameter base device symmetry cell_info
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SOURCES print_info_test.cpp ../module_output/print_info.cpp ../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp
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SOURCES print_info_test.cpp ../module_output/print_info.cpp ../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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AddTest(
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AddTest(
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TARGET MODULE_IO_read_wf2rho_pw_test
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LIBS parameter base device planewave psi
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LIBS parameter base device planewave psi symmetry
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SOURCES read_wf2rho_pw_test.cpp ../module_wf/read_wfc_pw.cpp ../module_wf/read_wf2rho_pw.cpp ../../source_basis/module_pw/test/test_tool.cpp ../../source_estate/module_charge/charge_mpi.cpp ../module_wf/write_wfc_pw.cpp
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../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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add_test(NAME MODULE_IO_read_wf2rho_pw_parallel
@@ -229,8 +230,9 @@ add_test(NAME MODULE_IO_orb_io_test_parallel
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AddTest(
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TARGET MODULE_IO_write_dmk
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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 ../module_dm/test/write_dmk_test.cpp ../module_dm/write_dmk.cpp ../../source_cell/ucell_io.cpp
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../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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)
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add_test(

source/source_io/test_serial/CMakeLists.txt

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -56,8 +56,9 @@ AddTest(
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AddTest(
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TARGET MODULE_IO_write_bands
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LIBS parameter base device
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LIBS parameter base device symmetry
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SOURCES write_bands_test.cpp ../module_output/band_parallel_output.cpp ../module_energy/write_bands.cpp
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../../source_cell/klist.cpp ../../source_cell/parallel_kpoints.cpp ../../source_cell/k_vector_utils.cpp ../../source_cell/reciprocal_grid.cpp
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AddTest(

source/source_pw/module_stodft/test/CMakeLists.txt

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -8,6 +8,7 @@ AddTest(
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AddTest(
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TARGET MODULE_PW_Sto_Hamilt_UTs
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LIBS parameter psi base device planewave_serial
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LIBS parameter psi base device planewave_serial symmetry
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SOURCES ../hamilt_sdft_pw.cpp test_hamilt_sto.cpp ../../../source_hamilt/operator.cpp
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../../../source_cell/klist.cpp ../../../source_cell/parallel_kpoints.cpp ../../../source_cell/k_vector_utils.cpp ../../../source_cell/reciprocal_grid.cpp
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)

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