update doctest and pybind dependencies (#212)

* update doctest to v2.4.12

* update pybind to v3.0.1

* fix venv for pytest; update changelog

Author: rpreen

CHANGELOG.md

@@ -9,6 +9,7 @@ Changes:
 *   Update Python packaging: move `setup.cfg` metadata to `pyproject.toml` ([#207](https://github.com/xcsf-dev/xcsf/pull/207))
 *   Fix macOS building with AppleClang ([#210](https://github.com/xcsf-dev/xcsf/pull/210))
 *   Add support for Python 3.14 ([#211](https://github.com/xcsf-dev/xcsf/pull/211))
+*   Update pybind11 to v3.0.1 and doctest to v2.4.12 ([#212](https://github.com/xcsf-dev/xcsf/pull/212))
 
 ## Version 1.4.7 (Aug 19, 2024)
 

CMakeLists.txt

@@ -178,31 +178,43 @@ if(XCSF_PYLIB)
   file(COPY ${PYTHON_EXAMPLES} DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
   file(COPY "xcsf/utils/" DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/xcsf/utils/)
   file(COPY "xcsf/__init__.py" DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/xcsf/)
+
   if(PYTEST)
     # Copy the Python tests
     file(GLOB PYTHON_TESTS "test/python/*.py")
     file(COPY ${PYTHON_TESTS} DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
+
+    # Check Python executable has been found
+    if(NOT Python_EXECUTABLE)
+      message(FATAL_ERROR "Python_EXECUTABLE is not set")
+    endif()
+
     # Create a virtual environment
     set(VENV_DIR "${CMAKE_CURRENT_BINARY_DIR}/venv")
-    execute_process(COMMAND "${PYTHON_EXECUTABLE}" -m venv "${VENV_DIR}")
+    execute_process(COMMAND "${Python_EXECUTABLE}" -m venv "${VENV_DIR}")
+
     # Activate the virtual environment
     if(WIN32)
       set(PYTHON_EXEC "${VENV_DIR}/Scripts/python")
     else()
       set(PYTHON_EXEC "${VENV_DIR}/bin/python")
     endif()
+
     # Install dependencies
     execute_process(
       COMMAND "${PYTHON_EXEC}" -m pip install pytest numpy scikit-learn
     )
+
     # Add pytest to ctest (to capture CI failures)
     add_test(NAME pytest COMMAND "${PYTHON_EXEC}" -m pytest .)
+
     # Execute pytest at the end of building
     add_custom_target(run_tests ALL
       COMMAND "${PYTHON_EXEC}" -m pytest .
       WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
       COMMENT "Running pytest..."
     )
+
     # Wait for XCSF to be built
     add_dependencies(run_tests xcsf)
   endif()