fix compile without LibRI

maki49 · Sep 11, 2024 · b66049b · b66049b
1 parent 64d7be0
commit b66049b
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Showing 4 changed files with 18 additions and 6 deletions.
diff --git a/source/module_lr/esolver_lrtd_lcao.cpp b/source/module_lr/esolver_lrtd_lcao.cpp
@@ -561,13 +561,17 @@ void LR::ESolver_LR<T, TR>::read_ks_wfc()
 
     if (input.ri_hartree_benchmark == "aims")        // for aims benchmark
     {
+#ifdef __EXX
         int ncore = 0;
         std::vector<double> eig_ks_vec = RI_Benchmark::read_aims_ebands<double>(GlobalV::global_readin_dir + "band_out", nocc, nvirt, ncore);
         std::cout << "ncore=" << ncore << ", nocc=" << nocc << ", nvirt=" << nvirt << ", nbands=" << this->nbands << std::endl;
         std::cout << "eig_ks_vec.size()=" << eig_ks_vec.size() << std::endl;
         if(eig_ks_vec.size() != this->nbands) {ModuleBase::WARNING_QUIT("ESolver_LR", "read_aims_ebands failed.");};
         for (int i = 0;i < nbands;++i) { this->pelec->ekb(0, i) = eig_ks_vec[i]; }
         RI_Benchmark::read_aims_eigenvectors<T>(*this->psi_ks, GlobalV::global_readin_dir + "KS_eigenvectors.out", ncore, nbands, nbasis);
+#else
+        ModuleBase::WARNING_QUIT("ESolver_LR", "RI benchmark is only supported when compile with LibRI.");
+#endif
     }
     else if (!ModuleIO::read_wfc_nao(GlobalV::global_readin_dir, this->paraMat_, *this->psi_ks, this->pelec,
         /*skip_bands=*/this->nocc_max - this->nocc)) {

diff --git a/source/module_lr/hamilt_casida.h b/source/module_lr/hamilt_casida.h
@@ -61,6 +61,7 @@ namespace LR
 #endif
             if (ri_hartree_benchmark != "none")
             {
+#ifdef __EXX
                 if (spin_type == "Spin Singlet")
                 {
                     if (ri_hartree_benchmark == "aims") 
@@ -80,6 +81,9 @@ namespace LR
                     this->ops->add(ri_hartree_op);
                 }
                 else if (spin_type == "Spin Triplet") {std::cout<<"f_Hxc based on grid integral is not needed."<<std::endl;}
+#else
+                ModuleBase::WARNING_QUIT("ESolver_LR", "RI benchmark is only supported when compile with LibRI.");
+#endif
             }
             else
 #endif

diff --git a/source/module_lr/ri_benchmark/ri_benchmark.h b/source/module_lr/ri_benchmark/ri_benchmark.h
@@ -1,3 +1,4 @@
+#ifdef __EXX
 #pragma once
 #include "module_cell/unitcell.h"
 #include "module_psi/psi.h"
@@ -75,4 +76,5 @@ namespace RI_Benchmark
     template <typename TR>
     std::vector<TLRI<TR>> split_Ds(const std::vector<std::vector<TR>>& Ds, const std::vector<int>& aims_nbasis, const UnitCell& ucell);
 }
-#include "ri_benchmark.hpp"
+#include "ri_benchmark.hpp"
+#endif
diff --git a/source/module_lr/ri_benchmark/test/CMakeLists.txt b/source/module_lr/ri_benchmark/test/CMakeLists.txt
@@ -1,5 +1,7 @@
-AddTest(
-  TARGET ri_benchmark_test
-  LIBS psi base ${math_libs} device container
-  SOURCES ri_benchmark_test.cpp
-)
+if (ENABLE_LIBRI)
+  AddTest(
+    TARGET ri_benchmark_test
+    LIBS psi base ${math_libs} device container
+    SOURCES ri_benchmark_test.cpp
+  )
+endif()