Port app4triqs to clair and c2py

CMakeLists.txt

@@ -28,7 +28,7 @@ project(app4triqs VERSION 3.2.0 LANGUAGES C CXX)
 get_directory_property(IS_SUBPROJECT PARENT_DIRECTORY)
 
 # ############
-# Load TRIQS and CPP2PY
+# Load TRIQS 
 find_package(TRIQS 3.2 REQUIRED)
 
 # Get the git hash & print status
@@ -72,6 +72,13 @@ if(PythonSupport AND NOT TRIQS_WITH_PYTHON_SUPPORT)
   message(FATAL_ERROR "TRIQS was installed without Python support. Cannot build the Python Interface. Disable the build with -DPythonSupport=OFF")
 endif()
 
+# Clair 
+option(Clair "Use Clair python bindings generators" OFF)
+if(Clair)
+  find_package(Clair REQUIRED)
+  MESSAGE(STATUS "Found Clair plugin. Will use it to compile.")
+endif()
+
 # Documentation
 option(Build_Documentation "Build documentation" OFF)
 if(NOT IS_SUBPROJECT AND (Build_Documentation AND NOT PythonSupport))

c++/app4triqs/app4triqs.hpp

@@ -3,6 +3,8 @@
 #include <triqs/mesh.hpp>
 #include <h5/h5.hpp>
 
+using namespace triqs::gfs;
+
 namespace app4triqs {
 
   /**
@@ -76,4 +78,21 @@ namespace app4triqs {
    */
   int chain(int i, int j);
 
+
+  inline double sum_array(nda::array<double,2> const & a) { 
+    return sum(a);
+  }
+
+  inline nda::array<double,2> make_array(double i) { 
+    return {{1,i},{2,3}};
+  }
+
+  inline auto make_gf() { 
+    return gf<imfreq>{{10.0, Fermion}, {2, 2}};
+  }
+
+  inline void print_gf(int i, gf<imfreq> const & g) { 
+    std::cout  << g << std::endl;
+  }
+
 } // namespace app4triqs

deps/CMakeLists.txt

@@ -47,12 +47,12 @@ else()
   endif()
 endif()
 
-# -- Cpp2Py --
+# -- c2py --
 if(PythonSupport OR (NOT IS_SUBPROJECT AND Build_Documentation))
-  external_dependency(Cpp2Py
-    GIT_REPO https://github.com/TRIQS/cpp2py
-    VERSION 2.0
-    GIT_TAG master
+  external_dependency(c2py
+    GIT_REPO https://github.com/TRIQS/c2py
+    #VERSION 2.0
+    GIT_TAG unstable
     BUILD_ALWAYS
     EXCLUDE_FROM_ALL
   )

python/app4triqs/CMakeLists.txt

@@ -1,26 +1,51 @@
 # Configure the version
 configure_file(version.py.in version.py)
 
-# All Python files. Copy them in the build dir to have a complete package for the tests.
+# ------- Python files ----------
+
+# Copy them in the build dir to have a complete package for the tests.
 file(GLOB_RECURSE python_sources RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.py)
-file(GLOB_RECURSE wrap_generators RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *_desc.py)
-list(REMOVE_ITEM python_sources "${wrap_generators}")
 foreach(file ${python_sources})
-  configure_file(${file} ${file} COPYONLY)
+ configure_file(${file} ${file} COPYONLY)
 endforeach()
 
 # Install python files to proper location
 set(PYTHON_LIB_DEST ${TRIQS_PYTHON_LIB_DEST_ROOT}/${PROJECT_NAME})
 install(FILES ${CMAKE_CURRENT_BINARY_DIR}/version.py DESTINATION ${PYTHON_LIB_DEST})
-install(DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR} DESTINATION ${TRIQS_PYTHON_LIB_DEST_ROOT} FILES_MATCHING PATTERN "*.py" PATTERN "*_desc.py" EXCLUDE)
-
-# Build and install any python modules
-foreach(gen ${wrap_generators})
-  string(REPLACE "_desc.py" "" gen ${gen})
-  get_filename_component(module_name ${gen} NAME_WE)
-  get_filename_component(module_dir ${gen} DIRECTORY)
-  add_cpp2py_module(NAME ${module_name} DIRECTORY ${module_dir})
-  add_library(${PROJECT_NAME}::${module_name} ALIAS ${module_name})
-  target_link_libraries(${module_name} ${PROJECT_NAME}_c triqs_py)
-  install(TARGETS ${module_name} DESTINATION ${PYTHON_LIB_DEST}/${module_dir})
-endforeach()
+install(DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR} DESTINATION ${TRIQS_PYTHON_LIB_DEST_ROOT} FILES_MATCHING PATTERN "*.py")
+
+# ------- Python Extension ----------
+
+find_package(Python COMPONENTS Interpreter Development NumPy)
+
+set(module_name app4triqs_module)
+
+Python_add_library( ${module_name} MODULE ${module_name}.$<IF:$<TARGET_EXISTS:clair::c2py_plugin>,cpp,wrap.cxx>)
+
+target_include_directories(${module_name} SYSTEM PRIVATE  ${CMAKE_SOURCE_DIR}/src ${CMAKE_CURRENT_SOURCE_DIR})
+target_link_libraries(${module_name} PRIVATE ${PROJECT_NAME}_c $<TARGET_NAME_IF_EXISTS:clair::c2py_plugin> c2py::c2py Python::NumPy triqs_py)
+
+# What is the use of this ? 
+add_library(${PROJECT_NAME}::${module_name} ALIAS ${module_name})
+
+install(TARGETS ${module_name} DESTINATION ${PYTHON_LIB_DEST}/${module_dir})
+
+if(ASAN)
+  target_link_libraries(${module_name}  PRIVATE $<BUILD_INTERFACE:asan>)
+endif()
+
+if(UBSAN)
+  target_link_libraries(${module_name}  PRIVATE $<BUILD_INTERFACE:ubsan>)
+endif()
+
+#--------------------------------------------------------
+#  A target to copy the wrap.cxx files back to the src
+#--------------------------------------------------------
+
+add_custom_target(copy_wrap_cxx_to_src)
+add_custom_command(
+  TARGET copy_wrap_cxx_to_src
+  COMMAND cp ${CMAKE_CURRENT_BINARY_DIR}/*.wrap.cxx ${CMAKE_CURRENT_SOURCE_DIR}
+  COMMAND echo "** Copying all wrap.cxx to src"
+)
+

python/app4triqs/__init__.py

@@ -25,6 +25,6 @@
 DOC
 
 """
-from .app4triqs_module import Toto, chain
+from .app4triqs_module import Toto, chain, sum_array, make_array, make_gf, print_gf
 
-__all__ = ['Toto', 'chain']
+__all__ = [] #'Toto', 'chain']

python/app4triqs/app4triqs_module.cpp

@@ -0,0 +1,22 @@
+#include <c2py/c2py.hpp>
+#include "app4triqs/app4triqs.hpp"
+
+using namespace std::string_literals;
+using app4triqs::toto;
+template <> struct c2py::arithmetic<toto, c2py::OpName::Add> : std::tuple<triplet<toto,toto,toto>> {};
+
+
+/*template<> inline const std::string c2py::cpp_name<triqs::gfs::imfreq> = "imfreq"s;*/
+/*template<> inline const std::string c2py::cpp_name<triqs::gfs::matrix_valued> = "matrix_valued"s;*/
+
+/*template <typename M, typename T> */
+/*static inline const std::string c2py::cpp_name<triqs::gfs::gf<M,T>> = "gf<"s + c2py::cpp_name<M> + ", " + c2py::cpp_name<T> + ">";*/
+
+
+namespace c2py_module {
+
+  // auto documentation = "Module documentation";
+  auto ns = "app4triqs";
+  auto package_name = "app4triqs";
+
+} // namespace c2py_module

python/app4triqs/app4triqs_module.wrap.cxx

@@ -0,0 +1,144 @@
+
+// C.f. https://numpy.org/doc/1.21/reference/c-api/array.html#importing-the-api
+#define PY_ARRAY_UNIQUE_SYMBOL _cpp2py_ARRAY_API
+#pragma clang diagnostic ignored "-W#warnings"
+#include "app4triqs_module.cpp"
+#include "c2py/c2py.hpp"
+
+using c2py::operator"" _a;
+
+// ==================== Wrapped classes =====================
+
+template <> inline constexpr bool c2py::is_wrapped<app4triqs::toto> = true;
+
+// ==================== enums =====================
+
+// ==================== module classes =====================
+
+template <> inline const std::string c2py::cpp_name<app4triqs::toto> = "app4triqs::toto";
+template <> inline constexpr auto c2py::tp_name<app4triqs::toto> = "app4triqs.app4triqs_module.Toto";
+template <>
+inline constexpr const char *c2py::tp_doc<app4triqs::toto> = R"DOC(   A very useful and important class)DOC";
+
+static auto init_0 =
+    c2py::dispatcher_c_kw_t{c2py::c_constructor<app4triqs::toto>(), c2py::c_constructor<app4triqs::toto, int>("i_")};
+template <> constexpr initproc c2py::tp_init<app4triqs::toto> = c2py::pyfkw_constructor<init_0>;
+// f
+static auto const fun_0 = c2py::dispatcher_f_kw_t{c2py::cfun(c2py::castm<int>(&app4triqs::toto::f), "u")};
+
+// get_i
+static auto const fun_1 = c2py::dispatcher_f_kw_t{c2py::cfun(c2py::castmc<>(&app4triqs::toto::get_i))};
+static const auto doc_d_0 = fun_0.doc({R"DOC(   A simple function with :math:`G(
+   
+   Parameters
+   ----------
+   
+   u: Nothing useful)DOC"});
+static const auto doc_d_1 = fun_1.doc({R"DOC(   Simple accessor)DOC"});
+
+// ----- Method table ----
+template <>
+PyMethodDef c2py::tp_methods<app4triqs::toto>[] = {
+    {"f", (PyCFunction)c2py::pyfkw<fun_0>, METH_VARARGS | METH_KEYWORDS, doc_d_0.c_str()},
+    {"get_i", (PyCFunction)c2py::pyfkw<fun_1>, METH_VARARGS | METH_KEYWORDS, doc_d_1.c_str()},
+    {"__write_hdf5__", c2py::tpxx_write_h5<app4triqs::toto>, METH_VARARGS, "  "},
+    {"__getstate__", c2py::getstate_tuple<app4triqs::toto>, METH_NOARGS, ""},
+    {"__setstate__", c2py::setstate_tuple<app4triqs::toto>, METH_O, ""},
+    {nullptr, nullptr, 0, nullptr} // Sentinel
+};
+
+// ----- Method table ----
+
+template <>
+constinit PyGetSetDef c2py::tp_getset<app4triqs::toto>[] = {
+
+    {nullptr, nullptr, nullptr, nullptr, nullptr}};
+
+// ==================== module functions ====================
+
+// chain
+static auto const fun_2 = c2py::dispatcher_f_kw_t{c2py::cfun(c2py::cast<int, int>(&app4triqs::chain), "i", "j")};
+
+// make_array
+static auto const fun_3 = c2py::dispatcher_f_kw_t{c2py::cfun(c2py::cast<double>(&app4triqs::make_array), "i")};
+
+// make_gf
+static auto const fun_4 = c2py::dispatcher_f_kw_t{c2py::cfun(c2py::cast<>(&app4triqs::make_gf))};
+
+// sum_array
+static auto const fun_5 =
+    c2py::dispatcher_f_kw_t{c2py::cfun(c2py::cast<const nda::array<double, 2> &>(&app4triqs::sum_array), "a")};
+
+static const auto doc_d_2 = fun_2.doc({R"DOC(   Chain digits of two integers
+   
+   A set of functions that implement chaining
+   
+   Do I really need to explain more ?
+   
+   Parameters
+   ----------
+   
+   j: The second integer
+   i: The first integer)DOC"});
+static const auto doc_d_3 = fun_3.doc({R"DOC(   )DOC"});
+static const auto doc_d_4 = fun_4.doc({R"DOC(   )DOC"});
+static const auto doc_d_5 = fun_5.doc({R"DOC(   )DOC"});
+//--------------------- module function table  -----------------------------
+
+static PyMethodDef module_methods[] = {
+    {"chain", (PyCFunction)c2py::pyfkw<fun_2>, METH_VARARGS | METH_KEYWORDS, doc_d_2.c_str()},
+    {"make_array", (PyCFunction)c2py::pyfkw<fun_3>, METH_VARARGS | METH_KEYWORDS, doc_d_3.c_str()},
+    {"make_gf", (PyCFunction)c2py::pyfkw<fun_4>, METH_VARARGS | METH_KEYWORDS, doc_d_4.c_str()},
+    {"sum_array", (PyCFunction)c2py::pyfkw<fun_5>, METH_VARARGS | METH_KEYWORDS, doc_d_5.c_str()},
+    {nullptr, nullptr, 0, nullptr} // Sentinel
+};
+
+//--------------------- module struct & init error definition ------------
+
+//// module doc directly in the code or "" if not present...
+/// Or mandatory ?
+static struct PyModuleDef module_def = {
+    PyModuleDef_HEAD_INIT,
+    "app4triqs_module", /* name of module */
+    "DOC MODULE",       /* module documentation, may be NULL */
+    -1, /* size of per-interpreter state of the module, or -1 if the module keeps state in global variables. */
+    module_methods,
+    NULL,
+    NULL,
+    NULL,
+    NULL};
+
+//--------------------- module init function -----------------------------
+
+extern "C" __attribute__((visibility("default"))) PyObject *PyInit_app4triqs_module() {
+
+  // import numpy iff 'numpy/arrayobject.h' included
+#ifdef Py_ARRAYOBJECT_H
+  import_array();
+#endif
+
+  PyObject *m;
+
+  if (PyType_Ready(&c2py::py_type_object<c2py::py_range>) < 0)
+    return NULL;
+  if (PyType_Ready(&c2py::py_type_object<app4triqs::toto>) < 0)
+    return NULL;
+
+  m = PyModule_Create(&module_def);
+  if (m == NULL)
+    return NULL;
+
+  auto &conv_table = *c2py::conv_table_sptr.get();
+
+  conv_table[std::type_index(typeid(c2py::py_range)).name()] = &c2py::py_type_object<c2py::py_range>;
+  CLAIR_C2PY_ADD_TYPE_OBJECT(app4triqs::toto, "Toto");
+
+  c2py::pyref module = c2py::pyref::module("h5.formats");
+  if (not module)
+    return nullptr;
+  c2py::pyref register_class = module.attr("register_class");
+
+  register_h5_type<app4triqs::toto>(register_class);
+
+  return m;
+}

test/python/Basic.py

@@ -2,9 +2,10 @@
 
 import unittest
 
-from app4triqs import Toto, chain
+from app4triqs import Toto, chain, sum_array, make_array, make_gf, print_gf
 from h5 import *
 from triqs.utility import mpi
+import numpy as np
 
 class test_toto(unittest.TestCase):
 
@@ -18,7 +19,6 @@ def test_add(self):
 
 
     def test_h5(self):
-
         a=Toto(0)
         with HDFArchive("f.h5",'w') as A:
             A["a"] = a
@@ -37,6 +37,21 @@ def test_mpi(self):
 
         self.assertEqual(a, Toto(1))
 
+    def test_nda(self):
+
+        a=np.array([(1,2),(2,3)])
+        self.assertEqual(sum_array(a), 8)
+        np.testing.assert_array_equal(make_array(2),a)
+
+    def test_gf(self):
+
+        g = make_gf()
+        print(g.mesh)
+        print_gf(2, g)
+        # Error to test error message
+        # print_gf(8,2)
+
+
 class test_chain(unittest.TestCase):
 
     def test_chain(self):

test/python/CMakeLists.txt

@@ -4,6 +4,9 @@ foreach(file ${all_h5_ref_files})
   configure_file(${file} ${file} COPYONLY)
 endforeach()
 
+#find_package(sanitizer REQUIRED "asan")
+MESSAGE("SANITIZER_RT_PRELOAD = ${SANITIZER_RT_PRELOAD}")
+
 # List of all tests
 set(all_tests Basic)
 
@@ -13,3 +16,5 @@ foreach(test ${all_tests})
   add_test(NAME Py_${test_name} COMMAND ${TRIQS_PYTHON_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/${test_dir}/${test_name}.py WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/${test_dir})
   set_property(TEST Py_${test_name} APPEND PROPERTY ENVIRONMENT PYTHONPATH=${PROJECT_BINARY_DIR}/python:$ENV{PYTHONPATH} ${SANITIZER_RT_PRELOAD})
 endforeach()
+
+