setup nanobind: WIP

CMakeLists.txt

@@ -68,19 +68,20 @@ if(NOT eigen_fetch_POPULATED)
     add_subdirectory(${eigen_fetch_SOURCE_DIR})
 endif(NOT eigen_fetch_POPULATED)
 
-# pybind11
+# nanobind
 if(QULACS_USE_PYTHON)
+    find_package(Python3 COMPONENTS Interpreter Development.Module REQUIRED)
     FetchContent_Declare(
-        pybind11_fetch
-        GIT_REPOSITORY https://github.com/pybind/pybind11
-        GIT_TAG v2.10.0
+        nanobind_fetch
+        GIT_REPOSITORY https://github.com/wjakob/nanobind
+        GIT_TAG v1.8.0
     )
-    FetchContent_GetProperties(pybind11_fetch)
-    if(NOT pybind11_fetch_POPULATED)
-        message(STATUS "Fetch pybind11 for python-binding")
-        FetchContent_Populate(pybind11_fetch)
-        add_subdirectory(${pybind11_fetch_SOURCE_DIR})
-    endif(NOT pybind11_fetch_POPULATED)
+    FetchContent_GetProperties(nanobind_fetch)
+    if(NOT nanobind_fetch_POPULATED)
+        message(STATUS "Fetch nanobind for python-binding")
+        FetchContent_Populate(nanobind_fetch)
+        add_subdirectory(${nanobind_fetch_SOURCE_DIR})
+    endif(NOT nanobind_fetch_POPULATED)
 endif(QULACS_USE_PYTHON)
 
 # Google test
@@ -138,7 +139,14 @@ if(QULACS_USE_EXE)
     add_subdirectory(exe)
 endif(QULACS_USE_EXE)
 
-### Custom target ###
+# python
+if(QULACS_USE_PYTHON)
+    add_custom_target(
+        python
+        DEPENDS qulacs_core
+    )
+endif(QULACS_USE_PYTHON)
+
 # test
 if(QULACS_USE_TEST)
     add_custom_target(

pysrc/qulacs/_version.py

@@ -12,5 +12,5 @@
 __version_tuple__: VERSION_TUPLE
 version_tuple: VERSION_TUPLE
 
-__version__ = version = '0.1.dev36+geedaa0e.d20231019'
-__version_tuple__ = version_tuple = (0, 1, 'dev36', 'geedaa0e.d20231019')
+__version__ = version = '0.1.dev122+gc44330f.d20240104'
+__version_tuple__ = version_tuple = (0, 1, 'dev122', 'gc44330f.d20240104')

python/CMakeLists.txt

@@ -1,6 +1,8 @@
 cmake_minimum_required(VERSION 3.21)
 
-pybind11_add_module(qulacs_core SHARED EXCLUDE_FROM_ALL binding.cpp)
-target_link_libraries(qulacs_core PRIVATE Kokkos::kokkos)
-target_link_libraries(qulacs_core PUBLIC qulacs)
-target_include_directories(qulacs_core PRIVATE ${PROJECT_SOURCE_DIR}/qulacs)
+nanobind_add_module(qulacs_core SHARED EXCLUDE_FROM_ALL binding.cpp)
+target_include_directories(qulacs_core PUBLIC ${PYTHON3_INCLUDE_DIRS})
+target_link_directories(qulacs_core PUBLIC ${PYTHON3_LIBRARIES})
+# target_link_libraries(qulacs_core PRIVATE Kokkos::kokkos)
+# target_link_libraries(qulacs_core PUBLIC qulacs)
+# target_include_directories(qulacs_core PRIVATE ${PROJECT_SOURCE_DIR}/qulacs)

python/binding.cpp

@@ -1,5 +1,5 @@
-#include <pybind11/pybind11.h>
+#include <nanobind/nanobind.h>
 
 #include <state/state_vector.hpp>
 
-PYBIND11_MODULE(qulacs_core, m) { pybind11::class_<StateVector>(m, "StateVector"); }
+NB_MODULE(qulacs_core, m) { nb::class_<StateVector>(m, "StateVector"); }

script/build_gcc.sh

@@ -6,6 +6,7 @@ GXX_COMMAND=${CXX_COMPILER:-"g++"}
 
 QULACS_USE_OMP=${QULACS_USE_OMP:-"ON"}
 QULACS_USE_CUDA=${QULACS_USE_CUDA:-"OFF"}
+QULACS_USE_PYTHON=${QULACS_USE_PYTHON:-"OFF"}
 QULACS_USE_TEST=${QULACS_USE_TEST:-"ON"}
 QULACS_USE_EXE=${QULACS_USE_EXE:-"ON"}
 
@@ -15,6 +16,7 @@ CMAKE_OPS="-D CMAKE_CXX_COMPILER=${GXX_COMMAND} \
   -D CMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} \
   -D QULACS_USE_OMP=${QULACS_USE_OMP} \
   -D QULACS_USE_CUDA=${QULACS_USE_CUDA} \
+  -D QULACS_USE_PYTHON=${QULACS_USE_PYTHON} \
   -D QULACS_USE_TEST=${QULACS_USE_TEST}"
 
 mkdir -p ./build

setup.py

@@ -41,17 +41,8 @@ def run(self):
     def build_extension(self, ext):
         build_args, cmake_args = self._generate_args(ext)
 
-        if self.opt_flags is not None:
-            opt_flags = self.opt_flags
-        elif os.getenv("QULACS_OPT_FLAGS"):
-            opt_flags = os.getenv("QULACS_OPT_FLAGS")
-        else:
-            opt_flags = None
-        if opt_flags:
-            cmake_args += ["-DOPT_FLAGS=" + opt_flags]
-
-        if os.getenv("QULACS_USE_GPU"):
-            cmake_args += ["-DQULACS_USE_GPU:STR=" + os.getenv("QULACS_USE_GPU")]
+        if os.getenv("QULACS_USE_CUDA"):
+            cmake_args += ["-DQULACS_USE_CUDA:STR=" + os.getenv("QULACS_USE_CUDA")]
 
         if os.getenv("QULACS_USE_OMP"):
             cmake_args += ["-DQULACS_USE_OMP:STR=" + os.getenv("QULACS_USE_OMP")]
@@ -85,11 +76,11 @@ def _generate_args(self, ext):
             "-DCMAKE_ARCHIVE_OUTPUT_DIRECTORY=" + archive_dir,
             "-DCMAKE_LIBRARY_OUTPUT_DIRECTORY=" + extdir,
             "-DCMAKE_RUNTIME_OUTPUT_DIRECTORY=" + bindir,
-            "-DCMAKE_POSITION_INDEPENDENT_CODE=Yes",
+            "-DCMAKE_POSITION_INDEPENDENT_CODE=ON",
             "-DPYTHON_EXECUTABLE=" + sys.executable,
-            "-DPYTHON_SETUP_FLAG:STR=Yes",
-            "-DQULACS_USE_GPU:STR=No",
-            "-DQULACS_USE_PYTHON=Yes",
+            "-DPYTHON_SETUP_FLAG:STR=ON",
+            "-DQULACS_USE_CUDA:STR=OFF",
+            "-DQULACS_USE_PYTHON=ON",
         ]
 
         cfg = "Debug" if self.debug else "Release"