Merge pull request #2 from ITISFoundation/working_version

Working wheel for python environment

.github/workflows/build-wheels.yml

@@ -28,8 +28,9 @@ jobs:
             - uses: pypa/[email protected]
               env:
                 CIBW_BUILD: ${{ matrix.python }}*${{ matrix.arch }}
-                CIBW_BEFORE_ALL: "yum install -y gcc-gfortran lapack-devel boost169-devel boost169-filesystem boost169-program-options boost169-regex boost169-serialization blas-devel"
+                #CIBW_BEFORE_ALL: "yum install -y gcc-gfortran lapack-devel boost169-devel boost169-filesystem boost169-program-options boost169-regex boost169-serialization blas-devel"
             - name: Upload wheels
               uses: actions/upload-artifact@v3
               with:
+                name: wheels-${{ matrix.os }}-${{ matrix.python }}-${{ matrix.arch }}
                 path: wheelhouse/*.whl

.gitignore

@@ -247,3 +247,4 @@ pyrightconfig.json
 build.sh
 dakota
 dakota_wheel-*
+wheelhouse

CMakeLists.txt

@@ -1,24 +1,33 @@
 cmake_minimum_required(VERSION 3.15)
 project(itis_dakota)
 
+add_definitions(-w)
+
+# set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} -Wall -lpthread -lutil")
+
+find_package(Threads REQUIRED)
+
 set(PY_BUILD_CMAKE_BIN_DIRECTORY ${PY_BUILD_CMAKE_PACKAGE_NAME}-${PY_BUILD_CMAKE_PACKAGE_VERSION}.data/scripts)
 set(PY_BUILD_CMAKE_LIB_DIRECTORY ${PY_BUILD_CMAKE_PACKAGE_NAME}-${PY_BUILD_CMAKE_PACKAGE_VERSION}.data/platlib)
 
 add_subdirectory(dakota EXCLUDE_FROM_ALL)
 
-add_custom_target(dakota_for_python ALL DEPENDS environment dakota_src dakota)
+add_custom_target(dakota_for_python ALL DEPENDS environment dakota_src ${Dakota_TPL_LIBRARIES})
 
-
-install(TARGETS dakota
-        RUNTIME
-        COMPONENT dakota_for_python
-        DESTINATION ${PY_BUILD_CMAKE_BIN_DIRECTORY})
+#install(TARGETS dakota
+#        RUNTIME
+#        COMPONENT dakota_for_python
+#        DESTINATION ${PY_BUILD_CMAKE_BIN_DIRECTORY})
 
 install(TARGETS dakota_src
         LIBRARY
         COMPONENT dakota_for_python
         LIBRARY DESTINATION ${PY_BUILD_CMAKE_BIN_DIRECTORY})
 
+#install(PROGRAMS ${Dakota_TPL_LIBRARIES} 
+#   COMPONENT dakota_for_python
+#    DESTINATION ${PY_BUILD_CMAKE_LIB_DIRECTORY}/dakota/environment/)
+
 install(TARGETS environment
     LIBRARY
     COMPONENT dakota_for_python

Makefile

@@ -1,8 +1,8 @@
 all:
 
 
-wheel:
-	pip wheel -v .
+wheel: cache-clean clean
+	CIBW_BUILD=cp38*x86_64 CIBW_BUILD_VERBOSITY=10 CIBW_SKIP="*musllinux*" cibuildwheel --platform linux
 
 install:
 	pip install -v .
@@ -19,4 +19,5 @@ get-dakota-src:
 	cd dakota && \
 		git submodule update --init packages/external && \
 		git submodule update --init packages/pecos && \
-		git submodule update --init packages/surfpack
+		git submodule update --init packages/surfpack && \
+		git apply ../dakota-src.patch

dakota-src.patch

@@ -0,0 +1,21 @@
+diff --git a/cmake/DakotaFindPython.cmake b/cmake/DakotaFindPython.cmake
+index 43f9fb9..f4c4e28 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)
+
+       if (DAKOTA_PYTHON_DIRECT_INTERFACE_NUMPY)
+ 	message(STATUS "Dakota enabling Python direct interface with NumPy")
+@@ -18,6 +18,7 @@ macro(dakota_find_python)
+     endif()
+
+     find_package(Python REQUIRED ${dakota_python_components})
++    # find_package(Python COMPONENTS ${dakota_python_components} REQUIRED)
+
+     # pybind11, C3, Acro, etc., use older CMake FindPythonInterp, so we
+     # coerce it to use same as Dakota; more complex situations may

pyproject.toml

@@ -9,16 +9,21 @@ requires = ["py-build-cmake", "numpy"]
 build-backend = "py_build_cmake.build"
 
 [tool.cibuildwheel]
-before-build = ["pushd /opt/_internal && tar -xJf static-libs-for-embedding-only.tar.xz && popd", "pip install numpy", "pip install cmake --upgrade"]
-before-all = ["yum install -y gcc-gfortran lapack-devel boost169-devel boost169-filesystem boost169-program-options boost169-regex boost169-serialization blas-devel"]
-repair-wheel-command = "auditwheel repair -w {dest_dir} {wheel}"
+before-build = ["pip install auditwheel --upgrade", "pip install numpy", "pip install cmake --upgrade"]
+#before-build = ["pip install auditwheel --upgrade", "pushd /opt/_internal && tar -xJf static-libs-for-embedding-only.tar.xz && popd", "pip install numpy", "pip install cmake --upgrade"]
+before-all = ["yum install -y lapack-static boost169-static blas-static python3-devel.x86_64"]
 
-[tool.py-build-cmake.sdist]
-include = ["dakota/*", "CMakeLists.txt", "LICENSE.txt"]
+repair-wheel-command = "auditwheel repair -w {dest_dir} {wheel} && ./scripts/fix_wheel.sh {dest_dir}"
+build-verbosity = 2
+skip = "*-musllinux_*"
+
+# [tool.py-build-cmake.sdist]
+# include = ["dakota/*", "CMakeLists.txt", "LICENSE.txt"]
 
 [tool.py-build-cmake.cmake]
 source_path = "."
-options = {"DAKOTA_PYTHON_WRAPPER" = "ON", "BUILD_SHARED_LIBS"="OFF", "CMAKE_SKIP_INSTALL_RPATH" = "ON", "CMAKE_POSITION_INDEPENDENT_CODE" = "ON", "DAKOTA_PYTHON_DIRECT_INTERFACE" = "ON", "BOOST_LIBRARYDIR" = "/usr/lib64/boost169", "BOOST_INCLUDEDIR" = "/usr/include/boost169"}
-build_args = ["-j"]
+#options = {"Boost_USE_STATIC_LIBS" = "ON", "DAKOTA_PYTHON_WRAPPER" = "ON", "CMAKE_POSITION_INDEPENDENT_CODE" = "ON", "BUILD_SHARED_LIBS"="OFF", "DAKOTA_PYTHON_DIRECT_INTERFACE" = "ON", "BOOST_LIBRARYDIR" = "/usr/lib64/boost169", "BOOST_INCLUDEDIR" = "/usr/include/boost169", "PYTHON_EXECUTABLE" = "/opt/python/cp38-cp38/bin/python", "PYTHON_INCLUDE_DIR" = "/opt/python/cp38-cp38/include", "PYTHON_LIBRARY" = "/opt/python/cp38-cp38/lib/libpython3.8.a", "PYTHON_LIBRARIES" = "/opt/python/cp38-cp38/lib/"}
+options = {"DAKOTA_PYTHON_WRAPPER" = "ON", "CMAKE_POSITION_INDEPENDENT_CODE" = "ON", "BUILD_SHARED_LIBS"="OFF", "DAKOTA_PYTHON_DIRECT_INTERFACE" = "ON", "BOOST_LIBRARYDIR" = "/usr/lib64/boost169", "BOOST_INCLUDEDIR" = "/usr/include/boost169", "PYTHON_EXECUTABLE" = "/opt/python/cp38-cp38/bin/python"}
+build_args = ["-j4"]
 build_type = "Release"
 install_components = ["dakota_for_python"]

scripts/fix_wheel.sh

@@ -0,0 +1,20 @@
+#!/bin/bash
+
+set -ex
+
+WHEEL_DIR=$1
+
+WHEEL_NAME=$(basename $(ls ${WHEEL_DIR}/*.whl) .whl)
+
+echo "Fixing ${WHEEL_DIR}/${WHEEL_NAME}.whl"
+
+cd ${WHEEL_DIR}
+
+unzip ${WHEEL_DIR}/${WHEEL_NAME}.whl -d ${WHEEL_NAME}
+
+find ${WHEEL_NAME} -type f -name "*.so" -exec patchelf --set-rpath '$ORIGIN/../../itis_dakota.libs' '{}' \;
+find ${WHEEL_NAME}/itis_dakota.libs -type f -name "*.so.*" -exec patchelf --set-rpath '$ORIGIN/' '{}' \;
+
+cd ${WHEEL_NAME}
+zip -r ${WHEEL_NAME}.whl *
+mv ${WHEEL_NAME}.whl ..