Fix gcc13 compiling problems.

Author: dkoes

.vscode/settings.json

@@ -66,7 +66,10 @@
         "cinttypes": "cpp",
         "typeindex": "cpp",
         "typeinfo": "cpp",
-        "variant": "cpp"
+        "variant": "cpp",
+        "codecvt": "cpp",
+        "cfenv": "cpp",
+        "filesystem": "cpp"
     },
     "C_Cpp.files.exclude": {
         "/usr/local/include/libmolgrid/**": true

CMakeLists.txt

@@ -12,6 +12,7 @@ if(NOT CMAKE_CONFIGURATION_TYPES AND NOT CMAKE_BUILD_TYPE)
 endif()
 
 set(CMAKE_EXPORT_COMPILE_COMMANDS ON)
+set(CMAKE_CXX_USE_RESPONSE_FILE_FOR_INCLUDES OFF)
 
 option(BUILD_SHARED "Build shared library" ON)
 option(BUILD_STATIC "Build static library" ON)

python/bindings.h

@@ -26,6 +26,7 @@
 #define TYPEARG(Z, N, T) BOOST_PP_COMMA_IF(N) T
 #define NTYPES(N, T) BOOST_PP_REPEAT(N, TYPEARG, T)
 
+
 extern bool python_gpu_enabled;
 bool init_numpy();
 

python/bindings.in.cpp

@@ -190,7 +190,7 @@ std::vector< std::vector<T> > listlist_to_vecvec(list l) {
 class PythonCallbackIndexTyper: public CallbackIndexTyper {
 
     boost::python::object callback;
-
+    using CallbackIndexTyper::get_atom_type_index;
   public:
 
     /// iniitalize callbacktyper, if names are not provided, numerical names will be generated
@@ -217,7 +217,7 @@ class PythonCallbackIndexTyper: public CallbackIndexTyper {
 class PythonCallbackVectorTyper: public CallbackVectorTyper {
 
     boost::python::object callback;
-
+    using CallbackVectorTyper::get_atom_type_vector;
   public:
 
     /// iniitalize callbacktyper, if names are not provided, numerical names will be generated
@@ -555,7 +555,7 @@ MAKE_ALL_GRIDS()
       init<object, unsigned, list>(
           (arg("func"), arg("num_types"), arg("names") = list() ) ))
       .def("num_types", &PythonCallbackIndexTyper::num_types)
-      .def("get_atom_type_index", &PythonCallbackIndexTyper::get_atom_type_index)
+      .def<std::pair<int,float> (PythonCallbackIndexTyper::*)(object a) const>("get_atom_type_index", &PythonCallbackIndexTyper::get_atom_type_index)
       .def("get_type_names",&PythonCallbackIndexTyper::get_type_names);
   implicitly_convertible<std::shared_ptr<PythonCallbackIndexTyper>, std::shared_ptr<AtomTyper> >();
 
@@ -574,7 +574,7 @@ MAKE_ALL_GRIDS()
       init<object, unsigned, list>(
           (arg("func"), arg("num_types"), arg("names") = list() ) ))
       .def("num_types", &PythonCallbackVectorTyper::num_types)
-      .def("get_atom_type_vector", &PythonCallbackVectorTyper::get_atom_type_vector)
+      .def< tuple (PythonCallbackVectorTyper::*)(object a) const >("get_atom_type_vector", &PythonCallbackVectorTyper::get_atom_type_vector)
       .def("get_type_names",&PythonCallbackVectorTyper::get_type_names);
   implicitly_convertible<std::shared_ptr<PythonCallbackVectorTyper>, std::shared_ptr<AtomTyper> >();