Cleaned up compilation warnings and linking issues on macos wit Xcode 15

mstsuite · Nov 2, 2023 · 47963d8 · 47963d8
1 parent 71df824
commit 47963d8
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Showing 8 changed files with 17 additions and 7 deletions.
diff --git a/src/Core/radialSolver.cpp b/src/Core/radialSolver.cpp
@@ -5,6 +5,7 @@
 #include <cfloat>
 #include <cstdlib>
 #include <cmath>
+#include <algorithm>
 
 void lsms::nrel_in(double energy, int l_qn, double *p_array, double *q_array,
                    const double *__restrict__ r_mesh,

diff --git a/src/Kubo/CurrentMatrix.hpp b/src/Kubo/CurrentMatrix.hpp
@@ -12,14 +12,14 @@
 #include "MultipleScattering/linearSolvers.hpp"
 #include "MultipleScattering/MultipleScattering.hpp"
 #include "MultipleScattering/buildKKRMatrix.hpp"
-#include "Accelerator/DeviceStorage.hpp"
 #if defined(ACCELERATOR_LIBSCI) || defined(ACCELERATOR_CUDA_C) || defined(ACCELERATOR_HIP)
+#include "Accelerator/DeviceStorage.hpp"
 extern DeviceStorage *deviceStorage;
 #endif
 
 class CurrentMatrix {
 public:
-    Complex sqrtm1 = (0.0,1.0);
+    const Complex sqrtm1 = Complex(0.0,1.0);
     Complex energy,prel,pnrel;
     int local_index, is,lmax_cg,kkrsz,nrmat;
     AtomData *atom;

diff --git a/src/Main/initializeAtom.cpp b/src/Main/initializeAtom.cpp
@@ -406,7 +406,7 @@ int calculateAtomLevels(AtomData &a, std::vector<InitialAtomLevel> &atomLevels,
   FILE *orbitalFile;
   if (writeOrbitals) {
     for (int nl = 0; nl < atomLevels.size(); nl++) {
-      sprintf(fname, "orbital_density_n%d_l%d", atomLevels[nl].n,
+      snprintf(fname, 250, "orbital_density_n%d_l%d", atomLevels[nl].n,
               atomLevels[nl].l);
       orbitalFile = fopen(fname, "w");
 

diff --git a/src/Main/wl_lsms.cpp b/src/Main/wl_lsms.cpp
@@ -124,7 +124,7 @@ int main(int argc, char *argv[]) {
   num_steps = 1;
   initial_steps = 0;
 
-  sprintf(i_lsms_name, "i_lsms");
+  snprintf(i_lsms_name, 60, "i_lsms");
   gWL_in_name[0] = gWL_out_name[0] = 0;
   mode_name[0] = 0;
   energy_calculation_name[0] = 0;

diff --git a/src/Mixer/Mixer.hpp b/src/Mixer/Mixer.hpp
@@ -26,6 +26,8 @@ class AbstractMixer {
       unsigned int mixerType, const RealMixingVector &mixVector,
       const MixingParameter &params);
 
+  virtual ~AbstractMixer() = default;
+
 };
 
 /**

diff --git a/src/Potential/XCBase.hpp b/src/Potential/XCBase.hpp
@@ -30,6 +30,8 @@ class XCBase {
                         Real xc_pot_out[2]) = 0;
 
   virtual std::string get_name() = 0;
+
+  virtual ~XCBase() = default;
 };
 
 }  // namespace lsms

diff --git a/src/Potential/newPotential.hpp b/src/Potential/newPotential.hpp
@@ -30,6 +30,7 @@ class Potential {
                                   LocalTypeInfo &local,
                                   CrystalParameters &crystal,
                                   std::vector<Real> &qsub) = 0;
+  virtual ~Potential() = default;
 };
 
 class ASAPotential : public Potential {

diff --git a/toolchain/macos-gfortran.cmake b/toolchain/macos-gfortran.cmake
@@ -7,9 +7,13 @@ set(MST_BUILD_KKR_MATRIX_DEFAULT 0x1000)
 set(BLA_VENDOR Apple)
 
 set(CMAKE_CXX_COMPILER "mpic++")
-set(CMAKE_C_COMPILER "gcc-11")
+set(CMAKE_C_COMPILER "gcc-13")
+
+set(BUILD_WITH_OPENMP OFF)
 
 set(CMAKE_BUILD_TYPE Release)
 set(CMAKE_CXX_FLAGS "-O3 -mtune=native")
-set(libxc_LIBRARIES "/Users/vie/Documents/MuST/external/libxc/LibXC/lib/libxc.a")
-set(libxc_INCLUDE_DIR "/Users/vie/Documents/MuST/external/libxc/LibXC/include")
+set(LINK_FLAGS "-Wl,-ld_classic")
+# set(LINK_FLAGS "-ld64")
+# set(libxc_LIBRARIES "/Users/vie/Documents/MuST/external/libxc/LibXC/lib/libxc.a")
+# set(libxc_INCLUDE_DIR "/Users/vie/Documents/MuST/external/libxc/LibXC/include")
-Original file line number
+Diff line change
@@ Expand Up / @@ -26,6 +26,8 @@ class AbstractMixer { @@
           unsigned int mixerType, const RealMixingVector &mixVector,
           const MixingParameter &params);
+      virtual ~AbstractMixer() = default;
     };
     /**
@@ Expand Down @@