Update to dakota 6.23

.github/workflows/bundle_with_dakota_caller.yml

@@ -4,7 +4,7 @@ env:
   ERT_SHOW_BACKTRACE: 1
   NO_PROJECT_RES: 1
   BOOST_VERSION: 1.87.0
-  DAKOTA_VERSION: 6.21.0
+  DAKOTA_VERSION: 6.23.0
   INSTALL_DIR: local
   NEEDS_REBUILD: true
 

.github/workflows/bundle_with_dakota_macos.yml

@@ -161,17 +161,8 @@ jobs:
 
         cd dakota-${{ inputs.DAKOTA_VERSION }}-public-src-cli
 
-        patch -p1 < $CAROLINA_DIR/dakota_manylinux_install_files/workdirhelper_boost_filesystem.patch
         patch -p1 < $CAROLINA_DIR/dakota_manylinux_install_files/CMakeLists_includes.patch
 
-        # Fix JEGA keyed_registry.hpp.inl bug (upstream fix: dakota-packages commit b837a87)
-        JEGA_KEYED_REG=$(find . -path '*/JEGA/eddy/utilities/include/inline/keyed_registry.hpp.inl')
-        if [ -n "$JEGA_KEYED_REG" ]; then
-          echo "Applying JEGA keyed_registry fix to $JEGA_KEYED_REG ..."
-          sed -i '' 's/const KeyType& value/const KeyType\& key/' "$JEGA_KEYED_REG"
-          sed -i '' 's/this->find(this->key)/this->find(key)/' "$JEGA_KEYED_REG"
-        fi
-
         PYTHON_INCLUDE_DIR="$(python -c "from sysconfig import get_paths as gp; g=gp(); print(f\"{g['include']} \")")"
 
         mkdir -p build

README.md

@@ -5,7 +5,7 @@
 [![PyPI version](https://img.shields.io/pypi/v/Carolina)](https://badge.fury.io/py/carolina)
 [![Platform](https://img.shields.io/badge/platform-macos%20%7C%20linux-lightgrey)](https://img.shields.io/badge/platform-macos%20%7C%20linux-lightgrey)
 
-Carolina is a [pyDAKOTA](https://github.com/wisdem/pyDAKOTA) fork maintained by Equinor.  Its raison d'être is to have easier building of a Python [Dakota](https://dakota.sandia.gov/) wrapper, without any MPI support. Carolina supports Python version 3.11, 3.12
+Carolina is a [pyDAKOTA](https://github.com/wisdem/pyDAKOTA) fork maintained by Equinor.  Its raison d'être is to have easier building of a Python [Dakota](https://dakota.sandia.gov/) wrapper, without any MPI support. Carolina supports Python version 3.11, 3.12, 3.13 and 3.14.
 
 ## Installation
 For Linux and MacOS: 

dakota_manylinux_install_files/build_deps_docker.sh

@@ -10,7 +10,7 @@ fi
 PYTHON_VERSION_ARG="$1"
 
 BOOST_VERSION="1.87.0"
-DAKOTA_VERSION="6.21.0"
+DAKOTA_VERSION="6.23.0"
 
 cd /tmp
 INSTALL_DIR=/tmp/INSTALL_DIR
@@ -103,24 +103,8 @@ cd "dakota-${DAKOTA_VERSION}-public-src-cli"
 
 echo "Applying patches ..."
 patch -p1 < "$CAROLINA_DIR/dakota_manylinux_install_files/CMakeLists.txt.patch"
-patch -p1 < "$CAROLINA_DIR/dakota_manylinux_install_files/DakotaFindPython.cmake.patch"
-patch -p1 < "$CAROLINA_DIR/dakota_manylinux_install_files/workdirhelper_boost_filesystem.patch"
 patch -p1 < "$CAROLINA_DIR/dakota_manylinux_install_files/CMakeLists_includes.patch"
 
-# FIX: GCC 14 no longer transitively provides std::uint32_t etc. via <string>.
-# Trilinos's Teuchos_BigUIntDecl.hpp needs an explicit #include <cstdint>.
-echo "Applying GCC 14 compatibility fix (cstdint) ..."
-sed -i '/#ifndef TEUCHOS_BIG_UINT_DECL_HPP/a #include <cstdint>' \
-  packages/external/trilinos/packages/teuchos/core/src/Teuchos_BigUIntDecl.hpp
-
-# Fix JEGA keyed_registry.hpp.inl bug (upstream fix: dakota-packages commit b837a87)
-JEGA_KEYED_REG=$(find . -path '*/JEGA/eddy/utilities/include/inline/keyed_registry.hpp.inl')
-if [ -n "$JEGA_KEYED_REG" ]; then
-  echo "Applying JEGA keyed_registry fix to $JEGA_KEYED_REG ..."
-  sed -i 's/const KeyType& value/const KeyType\& key/' "$JEGA_KEYED_REG"
-  sed -i 's/this->find(this->key)/this->find(key)/' "$JEGA_KEYED_REG"
-fi
-
 mkdir build
 cd build
 
@@ -153,7 +137,7 @@ echo "export CMAKE_LIBRARY_PATH=\"$CMAKE_LIBRARY_PATH\"" >> "$WORKSPACE/trace/en
 echo "export PYTHON_LIBRARIES=\"$PYTHON_LIBRARIES\"" >> "$WORKSPACE/trace/env"
 echo "export PYTHON_INCLUDE_DIR=\"$PYTHON_INCLUDE_DIR\"" >> "$WORKSPACE/trace/env"
 
-echo "Boostrapping Dakota ..."
+echo "Bootstrapping Dakota ..."
 cmake \
   -DCMAKE_CXX_STANDARD=17 \
   -DBUILD_SHARED_LIBS=ON \
@@ -167,6 +151,7 @@ cmake \
   -DCMAKE_BUILD_TYPE="Release" \
   -DDAKOTA_NO_FIND_TRILINOS:BOOL=TRUE \
   -DCMAKE_INSTALL_PREFIX="$INSTALL_DIR" \
+  -DCMAKE_INSTALL_LIBDIR=lib \
   -DPYTHON_LIBRARIES="$PYTHON_LIBRARIES" \
   -DCMAKE_EXE_LINKER_FLAGS="-L${PYTHON_LIBRARIES} -lpython${PYTHON_VERSION_ARG} -lpthread" \
   -DTHREADS_PREFER_PTHREAD_FLAG=ON \

dakota_manylinux_install_files/build_deps_gha.sh

@@ -90,24 +90,8 @@ cd "dakota-${DAKOTA_VERSION}-public-src-cli"
 
 echo "Applying patches ..."
 patch -p1 < "$CAROLINA_DIR/dakota_manylinux_install_files/CMakeLists.txt.patch"
-patch -p1 < "$CAROLINA_DIR/dakota_manylinux_install_files/DakotaFindPython.cmake.patch"
-patch -p1 < "$CAROLINA_DIR/dakota_manylinux_install_files/workdirhelper_boost_filesystem.patch"
 patch -p1 < "$CAROLINA_DIR/dakota_manylinux_install_files/CMakeLists_includes.patch"
 
-# FIX: GCC 14 no longer transitively provides std::uint32_t etc. via <string>.
-# Trilinos's Teuchos_BigUIntDecl.hpp needs an explicit #include <cstdint>.
-echo "Applying GCC 14 compatibility fix (cstdint) ..."
-sed -i '/#ifndef TEUCHOS_BIG_UINT_DECL_HPP/a #include <cstdint>' \
-  packages/external/trilinos/packages/teuchos/core/src/Teuchos_BigUIntDecl.hpp
-
-# Fix JEGA keyed_registry.hpp.inl bug (upstream fix: dakota-packages commit b837a87)
-JEGA_KEYED_REG=$(find . -path '*/JEGA/eddy/utilities/include/inline/keyed_registry.hpp.inl')
-if [ -n "$JEGA_KEYED_REG" ]; then
-  echo "Applying JEGA keyed_registry fix to $JEGA_KEYED_REG ..."
-  sed -i 's/const KeyType& value/const KeyType\& key/' "$JEGA_KEYED_REG"
-  sed -i 's/this->find(this->key)/this->find(key)/' "$JEGA_KEYED_REG"
-fi
-
 mkdir build
 cd build
 
@@ -148,6 +132,7 @@ cmake \
   -DCMAKE_BUILD_TYPE="Release" \
   -DDAKOTA_NO_FIND_TRILINOS:BOOL=TRUE \
   -DCMAKE_INSTALL_PREFIX="$INSTALL_DIR" \
+  -DCMAKE_INSTALL_LIBDIR=lib \
   -DPYTHON_LIBRARIES="$PYTHON_LIBRARIES" \
   -DCMAKE_EXE_LINKER_FLAGS="-L${PYTHON_LIBRARIES} -lpython${PYTHON_VERSION_ARG} -lpthread" \
   -DTHREADS_PREFER_PTHREAD_FLAG=ON \

script/build_boost_dakota.sh

@@ -4,7 +4,7 @@ set -eu
 
 
 BOOST_VERSION="1.87.0"
-DAKOTA_VERSION="6.21.0"
+DAKOTA_VERSION="6.23.0"
 
 BOOST_VER_NODOTS=$(echo "$BOOST_VERSION" | sed 's/\./_/g')
 
@@ -115,17 +115,8 @@ tar xf "$CACHE_DIR"/$dakota_file
 
 cd "dakota-${DAKOTA_VERSION}-public-src-cli"
 
-patch -p1 < ../../../dakota_manylinux_install_files/workdirhelper_boost_filesystem.patch
 patch -p1 < ../../../dakota_manylinux_install_files/CMakeLists_includes.patch
 
-# Fix JEGA keyed_registry.hpp.inl bug (upstream fix: dakota-packages commit b837a87)
-JEGA_KEYED_REG=$(find . -path '*/JEGA/eddy/utilities/include/inline/keyed_registry.hpp.inl')
-if [ -n "$JEGA_KEYED_REG" ]; then
-  echo "Applying JEGA keyed_registry fix to $JEGA_KEYED_REG ..."
-  sed -i '' 's/const KeyType& value/const KeyType\& key/' "$JEGA_KEYED_REG"
-  sed -i '' 's/this->find(this->key)/this->find(key)/' "$JEGA_KEYED_REG"
-fi
-
 mkdir -p build
 cd build
 

setup.py

@@ -10,6 +10,7 @@
 import platform
 import sys
 import shutil
+from pathlib import Path
 
 import numpy
 
@@ -19,7 +20,7 @@
 
 DAKOTA_EXEC = shutil.which("dakota")
 if not DAKOTA_EXEC:
-    exit('Unable to find dakota executable.')
+    sys.exit("Unable to find dakota executable.")
 
 
 def get_default_boost_python():
@@ -34,42 +35,49 @@ def get_numpy_include():
 def find_dakota_paths():
     """Assuming standard prefix-based install."""
     dakota_install = os.path.dirname(os.path.dirname(DAKOTA_EXEC))
-    dakota_bin = os.path.join(dakota_install, 'bin')
-    dakota_include = os.path.join(dakota_install, 'include')
-    dakota_lib = os.path.join(dakota_install, 'lib')
-    eigen_include = os.path.join(dakota_include, 'eigen3')
+    dakota_bin = os.path.join(dakota_install, "bin")
+    dakota_include = os.path.join(dakota_install, "include")
+    dakota_lib = os.path.join(dakota_install, "lib")
+    eigen_include = os.path.join(dakota_include, "eigen3")
     req = (dakota_bin, dakota_include, dakota_lib)
     if not all(map(os.path.exists, req)):
-        exit("Can't find %s or %s or %s, bummer" % req)
+        sys.exit("Can't find %s or %s or %s, bummer" % req)
     return dakota_install, dakota_bin, dakota_include, dakota_lib, eigen_include
 
 
 def read_dakota_macros(install_path):
     """Read make macros from `install_path`/include/Makefile.export.Dakota."""
     dakota_macros = {}
-    with open(os.path.join(install_path, 'include',
-                           'Makefile.export.Dakota'), 'r') as inp:
+    with open(
+        os.path.join(install_path, "include", "Makefile.export.Dakota"), "r"
+    ) as inp:
         for line in inp:
             line = line.strip()
-            if not line or line.startswith('#'):
+            if not line or line.startswith("#"):
                 continue
-            name, _, value = line.partition('=')
+            name, _, value = line.partition("=")
             dakota_macros[name.strip()] = value.strip().split()
     return dakota_macros
 
 
 def get_dakota_libs(macros):
-    """Drop '-l' from Dakota_LIBRARIES if necessary."""
-    libs = macros['Dakota_LIBRARIES']
-    libs = [name[2:] if name.startswith('-l') else name for name in libs]
+    """Drop '-l' from Dakota_LIBRARIES if necessary.
+
+    Also strip CMake namespace prefixes
+    (e.g. 'TeuchosCore::teuchoscore' -> 'teuchoscore')
+    """
+    libs = macros["Dakota_LIBRARIES"]
+    libs = [name[2:] if name.startswith("-l") else name for name in libs]
+    libs = [name.split("::")[-1] if "::" in name else name for name in libs]
     return libs
 
 
 def get_define_macros(macros):
     """Drop '-D' from Dakota_DEFINES."""
-    define_macros = [(name[2:], None) for name in macros['Dakota_DEFINES']]
+    define_macros = [(name[2:], None) for name in macros["Dakota_DEFINES"]]
     return define_macros
 
+
 def get_boost_inc_lib():
     """BOOST_ROOT is expected to be set if a certain boost build is required.
 
@@ -79,35 +87,36 @@ def get_boost_inc_lib():
 
     """
 
-    boost_root = os.getenv('BOOST_ROOT', None)
+    boost_root = os.getenv("BOOST_ROOT", None)
 
     boost_inc_dir = None
     boost_lib_dir = None
     if boost_root:
-        boost_inc_dir = os.path.join(boost_root, 'include')
-        boost_lib_dir = os.path.join(boost_root, 'lib')
+        boost_inc_dir = os.path.join(boost_root, "include")
+        boost_lib_dir = os.path.join(boost_root, "lib")
 
-    boost_python = os.getenv('BOOST_PYTHON', get_default_boost_python())
+    boost_python = os.getenv("BOOST_PYTHON", get_default_boost_python())
 
     if not boost_lib_dir:
         return boost_inc_dir, None, None, boost_python
 
-    return boost_inc_dir, boost_lib_dir, boost_lib_dir+'64', boost_python
+    return boost_inc_dir, boost_lib_dir, boost_lib_dir + "64", boost_python
 
 
 def get_macros_include_library():
     """Get the dakota macros, include and library dirs."""
-    dakota_install, dakota_bin, dakota_include, dakota_lib, eigen_include = find_dakota_paths()
+    dakota_install, dakota_bin, dakota_include, dakota_lib, eigen_include = (
+        find_dakota_paths()
+    )
     dakota_macros = read_dakota_macros(dakota_install)
 
     inc = [dakota_include, eigen_include, get_numpy_include()]
     lib = [dakota_lib, dakota_bin]
     return dakota_macros, inc, lib
 
-def get_carolina_extension():
-    """Setup everything and make an Extension for Carolina!
 
-    """
+def get_carolina_extension():
+    """Setup everything and make an Extension for Carolina!"""
 
     dakota_macros, include_dirs, library_dirs = get_macros_include_library()
 
@@ -118,12 +127,16 @@ def get_carolina_extension():
         library_dirs.append(boost_lib)
         library_dirs.append(boost_lib64)
 
+    sources = ["src/dakface.cpp", "src/dakota_python_binding.cpp"]
 
-    sources = ['src/dakface.cpp', 'src/dakota_python_binding.cpp']
-
-
-    external_libs = ['boost_regex', 'boost_filesystem', 'boost_serialization',
-                     'boost_system', 'boost_program_options', boost_python]
+    external_libs = [
+        "boost_regex",
+        "boost_filesystem",
+        "boost_serialization",
+        "boost_system",
+        "boost_program_options",
+        boost_python,
+    ]
 
     print(boost_python)
 
@@ -134,19 +147,21 @@ def get_carolina_extension():
 
     if "Darwin" in platform.system():
         # Reserve header space for install_name_tool rewrites by delocate
-        extra_link_args = ['-Wl,-headerpad_max_install_names']
+        extra_link_args = ["-Wl,-headerpad_max_install_names"]
     else:
-        extra_link_args = ['-Wl,-z,origin']
-
-    carolina = Extension(name='carolina',
-                         sources=sources,
-                         include_dirs=include_dirs,
-                         define_macros=define_macros,
-                         extra_link_args=extra_link_args,
-                         extra_compile_args=['-std=c++17'],
-                         library_dirs=library_dirs,
-                         libraries=libraries,
-                         language='c++')
+        extra_link_args = ["-Wl,-z,origin"]
+
+    carolina = Extension(
+        name="carolina",
+        sources=sources,
+        include_dirs=include_dirs,
+        define_macros=define_macros,
+        extra_link_args=extra_link_args,
+        extra_compile_args=["-std=c++17"],
+        library_dirs=library_dirs,
+        libraries=libraries,
+        language="c++",
+    )
     return carolina
 
 
@@ -155,8 +170,8 @@ def get_carolina_extension():
 setup(
     name="carolina",
     description="A Python wrapper for DAKOTA",
-    long_description=open('README.md').read(),
-    long_description_content_type='text/markdown',
+    long_description=Path("README.md").read_text(encoding="utf-8"),
+    long_description_content_type="text/markdown",
     py_modules=["dakota"],
     ext_modules=[CAROLINA],
     package_dir={"": "src"},