ENH: set PyBind11 version to 3.0

.github/workflows/linux-ci.yml

@@ -14,7 +14,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: [3.7, 3.8, 3.9, 'pypy-3.6', 'pypy-3.7']
+        python-version: [3.9, "3.10", 3.11, 3.12, 3.13]
         kokkos-branch: ['master', 'develop']
 
     steps:
@@ -30,10 +30,9 @@ jobs:
         sudo apt-get update &&
         sudo apt-get install -y build-essential gcc g++ ninja-build &&
         python -m pip install --upgrade pip &&
-        python -m pip install 'cmake==3.18.4'
+        python -m pip install 'cmake==3.31.6'
 
     - name: Install Kokkos
-      if: ${{ matrix.python-version != 'pypy-3.6' && matrix.python-version != 'pypy-3.7' }}
       run:
         git clone -b ${{ matrix.kokkos-branch }} https://github.com/kokkos/kokkos.git /tmp/kokkos-source &&
         cmake -B /tmp/kokkos-build
@@ -82,7 +81,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: [3.7, 3.8, 3.9, 'pypy-3.6', 'pypy-3.7']
+        python-version: [3.9, "3.10", 3.11, 3.12, 3.13]
         kokkos-branch: ['master']
 
     steps:
@@ -98,16 +97,14 @@ jobs:
         sudo apt-get update &&
         sudo apt-get install -y build-essential gcc g++ ninja-build &&
         python -m pip install --upgrade pip &&
-        python -m pip install 'cmake==3.18.4'
+        python -m pip install 'cmake==3.31.6'
 
     - name: Install Kokkos
-      if: ${{ matrix.python-version != '3.8' && matrix.python-version != '3.9' }}
       run:
         git clone -b ${{ matrix.kokkos-branch }} https://github.com/kokkos/kokkos.git /tmp/kokkos-source &&
         cmake -B /tmp/kokkos-build
           -DKokkos_ENABLE_SERIAL=ON
           -DKokkos_ENABLE_OPENMP=ON
-          -DCMAKE_CXX_STANDARD=17
           -DBUILD_SHARED_LIBS=ON
           /tmp/kokkos-source &&
         cmake --build /tmp/kokkos-build --target all --parallel 2 &&
@@ -144,7 +141,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: [3.7, 3.8, 3.9, "3.10", "3.11"]
+        python-version: [3.9, "3.10", 3.11, 3.12, 3.13]
         kokkos-branch: ['develop']
 
     steps:
@@ -160,16 +157,14 @@ jobs:
         sudo apt-get update &&
         sudo apt-get install -y build-essential gcc g++ ninja-build &&
         python -m pip install --upgrade pip &&
-        python -m pip install 'cmake==3.20.2'
+        python -m pip install 'cmake==3.31.6'
 
     - name: Install Kokkos
-      if: ${{ matrix.python-version != '3.7' }}
       run:
         git clone -b ${{ matrix.kokkos-branch }} https://github.com/kokkos/kokkos.git /tmp/kokkos-source &&
         cmake -B /tmp/kokkos-build
           -DKokkos_ENABLE_SERIAL=ON
           -DKokkos_ENABLE_THREADS=ON
-          -DCMAKE_CXX_STANDARD=17
           -DCMAKE_POSITION_INDEPENDENT_CODE=ON
           /tmp/kokkos-source &&
         cmake --build /tmp/kokkos-build --target all --parallel 2 &&
@@ -179,7 +174,7 @@ jobs:
       run:
         python -m pip install -r requirements.txt &&
         python -m pip install pytest &&
-        PYKOKKOS_BASE_SETUP_ARGS="-DENABLE_WERROR=ON -DENABLE_MEMORY_TRAITS=ON -DENABLE_LAYOUTS=ON -DENABLE_VIEW_RANKS=2 -DCMAKE_CXX_STANDARD=17 -DKokkos_ENABLE_THREADS=ON -DCMAKE_POSITION_INDEPENDENT_CODE=ON -DBUILD_SHARED_LIBS=OFF"
+        PYKOKKOS_BASE_SETUP_ARGS="-DENABLE_WERROR=ON -DENABLE_MEMORY_TRAITS=ON -DENABLE_LAYOUTS=ON -DENABLE_VIEW_RANKS=2 -DKokkos_ENABLE_THREADS=ON -DCMAKE_POSITION_INDEPENDENT_CODE=ON -DBUILD_SHARED_LIBS=OFF"
           python -m pip install -v --user --no-deps -e .
 
     - name: Import Test
@@ -197,7 +192,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: [3.9]
+        python-version: [3.9, "3.10", 3.11, 3.12, 3.13]
 
     steps:
     - uses: actions/checkout@v3
@@ -215,7 +210,7 @@ jobs:
         sudo apt-get update &&
         sudo apt-get install -y build-essential gcc g++ ninja-build &&
         python -m pip install --upgrade pip &&
-        python -m pip install 'cmake==3.18.4'
+        python -m pip install 'cmake==3.31.6'
 
     - name: Generate Hierarchy
       run: |

.github/workflows/python-package.yml

@@ -14,7 +14,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: [3.7, 3.8, 3.9]
+        python-version: [3.9, "3.10", 3.11, 3.12, 3.13]
 
     steps:
     - uses: actions/checkout@v2
@@ -34,11 +34,11 @@ jobs:
         # flake8 options are defined in setup.cfg
         flake8 . --count --statistics
 
-  formatting:
-    runs-on: ubuntu-18.04
+   formatting:
+    runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: [3.8]
+        python-version: [3.13]
 
     steps:
     - uses: actions/checkout@v2

CMakeLists.txt

@@ -110,10 +110,10 @@ EXECUTE_PROCESS(
     WORKING_DIRECTORY ${PROJECT_BINARY_DIR})
 
 # location where kokkos libraries are/will be installed
-IF(ENABLE_INTERNAL_KOKKOS OR NOT Kokkos_DIR)
+IF(ENABLE_INTERNAL_KOKKOS OR NOT Kokkos_ROOT)
     SET(_Kokkos_LIBDIR "${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}")
-ELSEIF(Kokkos_DIR)
-    STRING(REGEX REPLACE "/cmake/.*" "" _Kokkos_LIBDIR "${Kokkos_DIR}")
+ELSEIF(Kokkos_ROOT)
+    STRING(REGEX REPLACE "/cmake/.*" "" _Kokkos_LIBDIR "${Kokkos_ROOT}")
 ENDIF()
 
 # absolute path to libpykokkos install

README.md

@@ -70,8 +70,10 @@ of time required to compile the bindings.
 
 ### Kokkos Installation
 
+If Kokkos is installed *externaly* to pykokkos-base, set the CMake option `ENABLE_INTERNAL_KOKKOS=OFF`
+and set the environment variable `Kokkos_ROOT=<Kokkos Install Directory>/lib64/cmake/Kokkos`. 
 If the `ENABLE_INTERNAL_KOKKOS` option is not specified the first time CMake is run, CMake will try to
-find an existing Kokkos installation. If no existing installation is found, it will build and install
+find an existing Kokkos installation. If an existing installation *is not* found, it will build and install
 Kokkos from a submodule. When Kokkos is added as a submodule, you can configure the submodule
 as you would normally configure Kokkos. However, due to some general awkwardness configuring cmake
 from `setup.py` (especially via `pip install`), CMake tries to "automatically" configure

cmake/Modules/KokkosPythonKokkos.cmake

@@ -44,8 +44,8 @@ IF(NOT _INTERNAL_KOKKOS AND NOT TARGET Kokkos::kokkoscore)
     FIND_FILE(Kokkos_InterOp_Header
         NO_DEFAULT_PATH
         NAMES           Kokkos_InterOp.hpp KokkosExp_InterOp.hpp
-        PATHS           ${Kokkos_INCLUDE_DIR} ${Kokkos_DIR}
-        HINTS           ${Kokkos_INCLUDE_DIR} ${Kokkos_DIR}
+        PATHS           ${Kokkos_INCLUDE_DIR} ${Kokkos_ROOT}
+        HINTS           ${Kokkos_INCLUDE_DIR} ${Kokkos_ROOT}
         DOC             "Path to Kokkos InterOp header"
         PATH_SUFFIXES   include ../../../include)
 
@@ -60,8 +60,8 @@ ELSEIF(TARGET Kokkos::kokkoscore)
     FIND_FILE(Kokkos_InterOp_Header
         NO_DEFAULT_PATH
         NAMES           Kokkos_InterOp.hpp KokkosExp_InterOp.hpp
-        PATHS           ${Kokkos_INCLUDE_DIR} ${Kokkos_DIR}
-        HINTS           ${Kokkos_INCLUDE_DIR} ${Kokkos_DIR}
+        PATHS           ${Kokkos_INCLUDE_DIR} ${Kokkos_ROOT}
+        HINTS           ${Kokkos_INCLUDE_DIR} ${Kokkos_ROOT}
         DOC             "Path to Kokkos InterOp header"
         PATH_SUFFIXES   include ../../../include)
 

include/execution_spaces.hpp

@@ -53,19 +53,23 @@
 
 namespace Common {
 template <typename Sp, size_t SpaceIdx>
-void generate_execution_space_init(py::class_<Sp> &,
+void generate_execution_space_init(
+    [[maybe_unused]] py::class_<Sp> &,
     enable_if_t<SpaceIdx == Serial_Backend, int> = 0) {}
 
 template <typename Sp, size_t SpaceIdx>
-void generate_execution_space_init(py::class_<Sp> &,
+void generate_execution_space_init(
+    [[maybe_unused]] py::class_<Sp> &,
     enable_if_t<SpaceIdx == Threads_Backend, int> = 0) {}
 
 template <typename Sp, size_t SpaceIdx>
-void generate_execution_space_init(py::class_<Sp> &,
+void generate_execution_space_init(
+    [[maybe_unused]] py::class_<Sp> &,
     enable_if_t<SpaceIdx == OpenMP_Backend, int> = 0) {}
 
 template <typename Sp, size_t SpaceIdx>
-void generate_execution_space_init(py::class_<Sp> &_space,
+void generate_execution_space_init(
+    [[maybe_unused]] py::class_<Sp> &_space,
     enable_if_t<SpaceIdx == Cuda_Backend, int> = 0) {
 #if defined(KOKKOS_ENABLE_CUDA) && defined(__CUDACC__)
   _space.def(py::init([](uint64_t stream_ptr, bool manage_stream) {
@@ -76,7 +80,8 @@ void generate_execution_space_init(py::class_<Sp> &_space,
 }
 
 template <typename Sp, size_t SpaceIdx>
-void generate_execution_space_init(py::class_<Sp> &_space,
+void generate_execution_space_init(
+    [[maybe_unused]] py::class_<Sp> &_space,
     enable_if_t<SpaceIdx == HIP_Backend, int> = 0) {
 #if defined(KOKKOS_ENABLE_HIP) && defined(__HIPCC__)
   _space.def(py::init([](uint64_t stream_ptr, bool manage_stream) {
@@ -134,4 +139,5 @@ template <size_t... SpaceIdx>
 void generate_execution_spaces(py::module &_mod,
                                std::index_sequence<SpaceIdx...>) {
   FOLD_EXPRESSION(Space::generate_execution_space<SpaceIdx>(_mod));
-}
+}
+

include/pools.hpp

@@ -65,11 +65,8 @@ void generate_pool(py::module &_mod, const std::string &_name,
 
   _pool.def(py::init([](uint64_t seed) { return new PoolT{seed}; }));
 
-  _pool.def(
-      "init",
-      [](PoolT &_p, uint64_t _seed, int _num_states) {
-        _p.init(_seed, _num_states);
-      },
-      "Initialize the random pool");
+  _pool.def(py::init([](uint64_t seed, uint64_t num_states) {
+    return new PoolT{seed, num_states};
+  }));
 }
 }  // namespace Common

pyproject.toml

@@ -1,6 +1,6 @@
 [build-system]
 requires = [
-    "setuptools < 60.0.0",
+    "setuptools < 80.0.0",
     "setuptools_scm >= 2.0.0",
     "wheel >= 0.29.0",
     "scikit-build >= 0.8.0",