Merge branch 'develop' into refactor/lapack-wrapper

Author: Cstandardlib

CMakeLists.txt

@@ -481,8 +481,12 @@ else()
   find_package(Lapack REQUIRED)
   include_directories(${FFTW3_INCLUDE_DIRS})
   list(APPEND math_libs FFTW3::FFTW3 LAPACK::LAPACK BLAS::BLAS)
+if(USE_DSP)
+  target_link_libraries(${ABACUS_BIN_NAME} ${SCALAPACK_LIBRARY_DIR})
+else()
   find_package(ScaLAPACK REQUIRED)
   list(APPEND math_libs ScaLAPACK::ScaLAPACK)
+endif()
   if(USE_OPENMP)
     list(APPEND math_libs FFTW3::FFTW3_OMP)
   endif()

source/source_base/module_fft/fft_dsp.cpp

@@ -1,6 +1,7 @@
 #include "fft_dsp.h"
 
 #include "source_base/global_variable.h"
+#include "source_base/global_function.h"
 
 #include <iostream>
 #include <string.h>

source/source_pw/module_pwdft/VSep_in_pw.cpp

@@ -46,9 +46,9 @@ double shell_cut(double r, double r_in, double r_out, double r_power)
 }
 } // namespace
 
-VSep::VSep() noexcept = default;
+VSep::VSep() = default;
 
-VSep::~VSep() noexcept = default;
+VSep::~VSep() = default;
 
 void VSep::init_vsep(const ModulePW::PW_Basis& rho_basis, const Sep_Cell& sep_cell)
 {

source/source_pw/module_pwdft/VSep_in_pw.h

@@ -10,8 +10,8 @@
 class VSep
 {
   public:
-    VSep() noexcept;
-    ~VSep() noexcept;
+    VSep();
+    ~VSep();
 
     void init_vsep(const ModulePW::PW_Basis& rho_basis, const Sep_Cell& sep_cell);
     void generate_vsep_r(const ModulePW::PW_Basis& rho_basis, const ModuleBase::ComplexMatrix& sf_in, const Sep_Cell& sep_cell);

source/source_pw/module_pwdft/operator_pw/veff_pw.cpp

@@ -58,7 +58,7 @@ void Veff<OperatorPW<T, Device>>::act(
 #ifdef __DSP
     if (npol == 1)
     {
-        ModulePW::FFT_Guard guard(wfcpw->fft_bundle);
+        ModuleBase::FFT_Guard guard(wfcpw->fft_bundle);
         for (int ib = 0; ib < nbands; ib += npol)
         {
             wfcpw->convolution(this->ctx,