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dyzheng
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Fix(XC,tests): restore develop's XC CMakeLists and fix duplicate add_subdirectory
1 parent 9196c54 commit 2199af1

3 files changed

Lines changed: 44 additions & 48 deletions

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‎source/source_hamilt/module_xc/CMakeLists.txt‎

Lines changed: 15 additions & 16 deletions
Original file line numberDiff line numberDiff line change
@@ -2,22 +2,21 @@ add_library(
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xc_
33
OBJECT
44
xc_functional.cpp
5-
xc_functional_vxc.cpp
6-
xc_functional_gradcorr.cpp
7-
xc_functional_gga_noncol_sf_builtin.cpp
8-
xc_functional_wrapper_xc.cpp
9-
xc_functional_wrapper_gcxc.cpp
10-
xc_funct_exch_lda.cpp
11-
xc_funct_corr_lda.cpp
12-
xc_funct_exch_gga.cpp
13-
xc_funct_corr_gga.cpp
14-
xc_funct_hcth.cpp
15-
xc_functional_libxc.cpp
16-
xc_functional_libxc_tools.cpp
17-
xc_functional_libxc_vxc.cpp
18-
xc_functional_libxc_wrapper_xc.cpp
19-
xc_functional_libxc_wrapper_gcxc.cpp
20-
xc_functional_libxc_wrapper_tauxc.cpp
5+
xc_pot.cpp
6+
xc_grad.cpp
7+
xc_lda_wrap.cpp
8+
xc_gga_wrap.cpp
9+
xc_lda_exch.cpp
10+
xc_lda_corr.cpp
11+
xc_gga_exch.cpp
12+
xc_gga_corr.cpp
13+
xc_hcth.cpp
14+
libxc_setup.cpp
15+
libxc_tools.cpp
16+
libxc_pot.cpp
17+
libxc_lda_wrap.cpp
18+
libxc_gga_wrap.cpp
19+
libxc_mgga_wrap.cpp
2120
exx_info.cpp
2221
)
2322

‎source/source_hamilt/module_xc/test/CMakeLists.txt‎

Lines changed: 29 additions & 30 deletions
Original file line numberDiff line numberDiff line change
@@ -27,24 +27,23 @@ list(APPEND FFT_SRC ../../../source_base/module_fft/fft_rocm.cpp)
2727
endif()
2828
AddTest(
2929
TARGET MODULE_HAMILT_XCTest_GRADCORR
30-
LIBS parameter MPI::MPI_CXX Libxc::xc ${math_libs} psi device container
31-
SOURCES test_xc3.cpp ../xc_functional_gradcorr.cpp ../xc_functional_gga_noncol_sf_builtin.cpp ../xc_functional.cpp
32-
../xc_functional_wrapper_xc.cpp ../xc_functional_wrapper_gcxc.cpp
33-
../xc_functional_libxc.cpp
34-
../xc_functional_libxc_wrapper_xc.cpp
35-
../xc_functional_libxc_wrapper_gcxc.cpp
36-
../xc_functional_libxc_wrapper_tauxc.cpp
37-
../xc_funct_corr_gga.cpp ../xc_funct_corr_lda.cpp ../xc_funct_exch_gga.cpp
38-
../xc_funct_exch_lda.cpp ../xc_funct_hcth.cpp
39-
../../../source_base/matrix.cpp
40-
../../../source_base/memory.cpp
41-
../../../source_base/timer.cpp
42-
../../../source_base/libm/branred.cpp
43-
../../../source_base/libm/sincos.cpp
44-
../../../source_base/module_external/blas_connector_base.cpp ../../../source_base/module_external/blas_connector_vector.cpp ../../../source_base/module_external/blas_connector_matrix.cpp
45-
../../../source_base/module_fft/fft_bundle.cpp
46-
../../../source_base/module_fft/fft_cpu.cpp
47-
${FFT_SRC}
30+
LIBS parameter MPI::MPI_CXX Libxc::xc psi device container
31+
SOURCES test_xc3.cpp ../xc_grad.cpp ../xc_functional.cpp
32+
../xc_lda_wrap.cpp ../xc_gga_wrap.cpp
33+
../libxc_setup.cpp
34+
../libxc_lda_wrap.cpp
35+
../libxc_gga_wrap.cpp
36+
../libxc_mgga_wrap.cpp
37+
../xc_gga_corr.cpp ../xc_lda_corr.cpp ../xc_gga_exch.cpp
38+
../xc_lda_exch.cpp ../xc_hcth.cpp
39+
../../../source_base/matrix.cpp
40+
../../../source_base/memory_recorder.cpp
41+
../../../source_base/libm/branred.cpp
42+
../../../source_base/libm/sincos.cpp
43+
../../../source_base/module_external/blas_connector_base.cpp ../../../source_base/module_external/blas_connector_vector.cpp ../../../source_base/module_external/blas_connector_matrix.cpp
44+
../../../source_base/module_fft/fft_bundle.cpp
45+
../../../source_base/module_fft/fft_cpu.cpp
46+
${FFT_SRC}
4847
)
4948

5049
AddTest(
@@ -62,18 +61,18 @@ AddTest(
6261

6362
AddTest(
6463
TARGET MODULE_HAMILT_XCTest_VXC
65-
LIBS parameter MPI::MPI_CXX Libxc::xc ${math_libs} psi device container
66-
SOURCES test_xc5.cpp ../xc_functional_gradcorr.cpp ../xc_functional_gga_noncol_sf_builtin.cpp ../xc_functional.cpp
67-
../xc_functional_wrapper_xc.cpp ../xc_functional_wrapper_gcxc.cpp
68-
../xc_functional_libxc.cpp
69-
../xc_functional_libxc_wrapper_xc.cpp
70-
../xc_functional_libxc_wrapper_gcxc.cpp
71-
../xc_functional_libxc_wrapper_tauxc.cpp
72-
../xc_funct_corr_gga.cpp ../xc_funct_corr_lda.cpp ../xc_funct_exch_gga.cpp
73-
../xc_funct_exch_lda.cpp ../xc_funct_hcth.cpp
74-
../xc_functional_vxc.cpp
75-
../xc_functional_libxc_vxc.cpp
76-
../xc_functional_libxc_tools.cpp
64+
LIBS parameter MPI::MPI_CXX Libxc::xc psi device container
65+
SOURCES test_xc5.cpp ../xc_grad.cpp ../xc_functional.cpp
66+
../xc_lda_wrap.cpp ../xc_gga_wrap.cpp
67+
../libxc_setup.cpp
68+
../libxc_lda_wrap.cpp
69+
../libxc_gga_wrap.cpp
70+
../libxc_mgga_wrap.cpp
71+
../xc_gga_corr.cpp ../xc_lda_corr.cpp ../xc_gga_exch.cpp
72+
../xc_lda_exch.cpp ../xc_hcth.cpp
73+
../xc_pot.cpp
74+
../libxc_pot.cpp
75+
../libxc_tools.cpp
7776
../../../source_base/module_external/blas_connector_base.cpp ../../../source_base/module_external/blas_connector_vector.cpp ../../../source_base/module_external/blas_connector_matrix.cpp
7877
../../../source_base/matrix.cpp
7978
../../../source_base/memory_recorder.cpp

‎tests/CMakeLists.txt‎

Lines changed: 0 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -10,8 +10,6 @@ add_subdirectory(07_OFDFT)
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add_subdirectory(08_EXX)
1111
add_subdirectory(10_others)
1212
add_subdirectory(11_PW_GPU)
13-
# TODO: Enable after DeltaSpin + DFT+U code is merged into develop
14-
add_subdirectory(17_DS_DFTU)
1513

1614
if(ENABLE_MLALGO)
1715
add_subdirectory(09_DeePKS)

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