Merge pull request #23 from ITISFoundation/dakota6210

Switch to dakota 6.21.0

Makefile

@@ -1,6 +1,5 @@
 all:
 
-
 wheel: cache-clean clean
 	CIBW_BUILD=cp311*x86_64 cibuildwheel --platform linux
 
@@ -21,17 +20,16 @@ cache-clean:
 
 get-dakota-src:
 	rm -rf dakota
-	git clone -j4 --branch v6.20.0 --depth 1 https://github.com/snl-dakota/dakota.git
+	git clone -j4 --branch v6.21.0 --depth 1 https://github.com/snl-dakota/dakota.git
 	cd dakota && \
 		git submodule update --init packages/external && \
 		git submodule update --init packages/pecos && \
 		git submodule update --init packages/surfpack && \
-		git apply ../src_patches/dakota-src.patch && \
+		git apply ../src_patches/findpython.patch && \
+		git apply ../src_patches/pythoninclude.patch && \
 		git apply ../src_patches/boost.patch && \
 		git apply ../src_patches/dakenv_restart.patch && \
 		git apply ../src_patches/cstdint_dak_types.patch && \
-		git apply --whitespace=nowarn ../src_patches/adaptsampl_batch.patch && \
-	    find . \( -name \*.cpp -o -name \*.hpp -o -name \*.c -o -name \*.h \) -exec \
-			sed -i -E -f ../src_patches/replace_old_macros_numpy.sed {} +
+		git apply --whitespace=nowarn ../src_patches/adaptsampl_batch.patch
 	cd dakota/packages/external && \
 		git apply ../../../src_patches/cstdint.patch

pyproject.toml

@@ -38,7 +38,7 @@ local_scheme = "no-local-version"
 
 [tool.cibuildwheel]
 repair-wheel-command = "auditwheel repair -w {dest_dir} {wheel} && ./scripts/fix_wheel.sh {dest_dir}"
-build-verbosity = 2
+build-verbosity = 1
 
 [tool.cibuildwheel.environment]
 BOOST_LIBRARYDIR = "/usr/lib64/boost1.78"
@@ -59,7 +59,7 @@ before-all = [
     "tar xzvf sccache-v0.8.1-x86_64-unknown-linux-musl.tar.gz",
     "cp sccache-v0.8.1-x86_64-unknown-linux-musl/sccache /usr/bin/",
     "pip install setuptools_scm",
-    "python -m setuptools_scm --force-write-version-files"
+    "python -m setuptools_scm --force-write-version-files",
 ]
 skip = "*-musllinux_*"
 manylinux-x86_64-image="quay.io/pypa/manylinux_2_28_x86_64:2024-12-05-7ed1b2d"
@@ -79,6 +79,7 @@ DAKOTA_PYTHON_WRAPPER = "ON"
 DAKOTA_PYTHON_DIRECT_INTERFACE = "ON"
 BUILD_SHARED_LIBS = "OFF"
 CMAKE_POSITION_INDEPENDENT_CODE = "ON"
+# CMAKE_VERBOSE_MAKEFILE = "ON"
 
 [tool.pytest.ini_options]
 addopts = "--ignore=dakota/"

src_patches/find_python.patch → src_patches/findpython.patch

@@ -1,22 +1,13 @@
 diff --git a/cmake/DakotaFindPython.cmake b/cmake/DakotaFindPython.cmake
-index 9ffa1ca..8edd853 100644
+index 9ffa1ca..d7a2152 100644
 --- a/cmake/DakotaFindPython.cmake
 +++ b/cmake/DakotaFindPython.cmake
 @@ -8,7 +8,7 @@ macro(dakota_find_python)
      if(DAKOTA_PYTHON_DIRECT_INTERFACE OR DAKOTA_PYTHON_SURROGATES OR
  	DAKOTA_PYTHON_WRAPPER OR DAKOTA_PYBIND11)
        message(STATUS "Dakota enabling Python (Development) for direct or surrogate interface")
 -      list(APPEND dakota_python_components Development)
-+      list(APPEND dakota_python_components Development.module)
++            list(APPEND dakota_python_components Development.Module)
 
        if (DAKOTA_PYTHON_DIRECT_INTERFACE_LEGACY)
          if (DAKOTA_PYTHON_DIRECT_INTERFACE)
-@@ -31,7 +31,7 @@ macro(dakota_find_python)
-
-     endif()
-
--    find_package(Python REQUIRED ${dakota_python_components})
-+    # find_package(Python REQUIRED ${dakota_python_components})
-
-     if (DAKOTA_PYTHON_DIRECT_INTERFACE_NUMPY)
- 	message(STATUS "NumPy version ${Python_NumPy_VERSION} found at ${Python_NumPy_INCLUDE_DIRS}")

src_patches/pythoninclude.patch

@@ -0,0 +1,21 @@
+diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
+index 1cce3d2..2670950 100644
+--- a/src/CMakeLists.txt
++++ b/src/CMakeLists.txt
+@@ -325,11 +325,11 @@ if(DAKOTA_PYTHON_DIRECT_INTERFACE)
+   # TODO: Use target_definitions
+   # If not, use  Python_LIBRARY_DIRS
+
+-  if(DAKOTA_PYTHON_DIRECT_INTERFACE_LEGACY) 
+-    list(APPEND EXT_TPL_INCDIRS ${Python_INCLUDE_DIRS})
+-    add_definitions("-DDAKOTA_PYTHON_LEGACY")
+-    list(APPEND EXT_TPL_LIBS ${Python_LIBRARIES})
+-  endif()
++  # if(DAKOTA_PYTHON_DIRECT_INTERFACE_LEGACY)
++  list(APPEND EXT_TPL_INCDIRS ${Python_INCLUDE_DIRS})
++  # add_definitions("-DDAKOTA_PYTHON_LEGACY")
++  list(APPEND EXT_TPL_LIBS ${Python_LIBRARIES})
++  # endif()
+   # Pybind11 is also included alongside older Python interface
+   list(APPEND EXT_TPL_INCDIRS ${pybind11_INCLUDE_DIR})
+   add_definitions("-DDAKOTA_PYBIND11")