Run docker via bash

.github/workflows/bundle_with_dakota.yml

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+name: 🏎️ Make Wheels 🏎️
+
+on: [pull_request]
+
+jobs:
+  build_wheels:
+    name: 🛞 Build Wheels 🛞
+    timeout-minutes: 60
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ['3.10']
+        os: [ubuntu-latest]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+    - uses: actions/checkout@v3
+      with:
+        fetch-depth: 0
+
+    - name: Build Linux Wheel
+      uses: docker://quay.io/pypa/manylinux2014_x86_64
+      with:
+        entrypoint: /bin/bash
+        args: '-c "sh dakota_manylinux_install_files/build_wheels_gha.sh"'
+
+    - name: Test Linux Wheel (Carolina)
+      uses: docker://quay.io/pypa/manylinux2014_x86_64
+      with:
+        entrypoint: /bin/bash
+        args: '-c "sh dakota_manylinux_install_files/test_wheels_gha.sh"'
+
+    - name: Upload wheel as artifact
+      uses: actions/upload-artifact@v2
+      with:
+        name: ${{ matrix.os }} Python ${{ matrix.python-version }} wheel
+        path: dist/*

dakota_manylinux_install_files/build_wheels_gha.sh

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+#!/bin/bash
+set -e
+cd /tmp
+INSTALL_DIR=/tmp/INSTALL_DIR
+
+mkdir -p $INSTALL_DIR
+touch $INSTALL_DIR/boost_bootstrap.log
+touch $INSTALL_DIR/boost_install.log
+touch $INSTALL_DIR/dakota_bootstrap.log
+touch $INSTALL_DIR/dakota_install.log
+touch $INSTALL_DIR/env
+
+# VERY IMPORTANT: extract python dev headers,
+# more info: https://github.com/pypa/manylinux/pull/1250
+pushd /opt/_internal && tar -xJf static-libs-for-embedding-only.tar.xz && popd
+
+echo "pushd /opt/_internal && tar -xJf static-libs-for-embedding-only.tar.xz && popd" >> $INSTALL_DIR/env
+echo "INSTALL_DIR=$INSTALL_DIR" >> $INSTALL_DIR/env
+
+yum install lapack-devel -y
+yum install python3-devel.x86_64 -y
+yum install -y wget
+cd /tmp
+
+wget https://boostorg.jfrog.io/artifactory/main/release/1.82.0/source/boost_1_82_0.tar.bz2 --no-check-certificate > /dev/null
+python_exec=$(which python3.10)
+$python_exec -m venv myvenv
+source ./myvenv/bin/activate
+pip install numpy
+pip install pybind11[global]
+
+PYTHON_DEV_HEADERS_DIR=$(rpm -ql python3-devel.x86_64 | grep '\.h$' | head -n 1 | xargs dirname)
+NUMPY_INCLUDE_PATH=$(find /tmp -type d -path "*site-packages/numpy/core/include") # $(python -c "import numpy; print(numpy.get_include())")
+PYTHON_INCLUDE_PATH=$(python -c "from distutils.sysconfig import get_python_inc; print(get_python_inc())")
+python_root=$(python -c "import sys; print(sys.prefix)")
+python_version=$(python --version | sed -E 's/.*([0-9]+\.[0-9]+)\.([0-9]+).*/\1/')
+python_version_no_dots="$(echo "${python_version//\./}")"
+python_bin_include_lib="    using python : $python_version : $(python -c "from sysconfig import get_paths as gp; g=gp(); print(f\"$python_exec : {g['include']} : {g['stdlib']} ;\")")"
+
+echo "Found dev headers $PYTHON_DEV_HEADERS_DIR"
+echo "Found numpy include path $NUMPY_INCLUDE_PATH"
+echo "Found python include path $PYTHON_INCLUDE_PATH"
+echo "Found python root $python_root"
+
+tar xf boost_1_82_0.tar.bz2
+cd boost_1_82_0
+
+echo "python_exec=$python_exec" >> $INSTALL_DIR/env
+echo "PYTHON_DEV_HEADERS_DIR=$PYTHON_DEV_HEADERS_DIR" >> $INSTALL_DIR/env
+echo "NUMPY_INCLUDE_PATH=$NUMPY_INCLUDE_PATH" >> $INSTALL_DIR/env
+echo "PYTHON_INCLUDE_PATH=$PYTHON_INCLUDE_PATH" >> $INSTALL_DIR/env
+echo "python_root=$python_root" >> $INSTALL_DIR/env
+echo "python_version=$python_version" >> $INSTALL_DIR/env
+echo "python_version_no_dots=$python_version_no_dots" >> $INSTALL_DIR/env
+echo "python_bin_include_lib=$python_bin_include_lib" >> $INSTALL_DIR/env
+echo "bootstrap_cmd=./bootstrap.sh --with-libraries=python,filesystem,program_options,regex,serialization,system --with-python=$(which python) --with-python-root=$python_root &> "$INSTALL_DIR/boost_bootstrap.log"" >> $INSTALL_DIR/env
+
+./bootstrap.sh --with-libraries=python,filesystem,program_options,regex,serialization,system --with-python=$(which python) --with-python-root="$python_root" &> "$INSTALL_DIR/boost_bootstrap.log"
+#./bootstrap.sh --with-libraries=python,filesystem,program_options,regex,serialization,system --with-python-version=$python_version --with-python-root="$python_root"
+sed -i -e "s|.*using python.*|$python_bin_include_lib|" project-config.jam
+echo "# sed -i -e \"s|.*using python.*|$python_bin_include_lib|\" project-config.jam" >> $INSTALL_DIR/env
+
+./b2 install -j8 -a cxxflags="-std=c++17" --prefix="$INSTALL_DIR" &> $INSTALL_DIR/boost_install.log
+echo "# ./b2 install -j8 -a cxxflags="-std=c++17" --prefix="$INSTALL_DIR" &> $INSTALL_DIR/boost_install.log" >> $INSTALL_DIR/env
+
+cd $INSTALL_DIR
+DAKOTA_INSTALL_DIR=/tmp/INSTALL_DIR/dakota
+mkdir -p $DAKOTA_INSTALL_DIR
+echo "DAKOTA_INSTALL_DIR=$DAKOTA_INSTALL_DIR" >> $INSTALL_DIR/env
+
+wget https://github.com/snl-dakota/dakota/releases/download/v6.18.0/dakota-6.18.0-public-src-cli.tar.gz > /dev/null
+tar xf dakota-6.18.0-public-src-cli.tar.gz
+
+CAROLINA_DIR=/github/workspace
+
+rm -f dakota-6.18.0-public-src-cli/CMakeLists.txt
+rm -f dakota-6.18.0-public-src-cli/cmake/DakotaFindPython.cmake
+
+cp $CAROLINA_DIR/dakota_manylinux_install_files/CMakeLists.txt dakota-6.18.0-public-src-cli/CMakeLists.txt
+cp $CAROLINA_DIR/dakota_manylinux_install_files/DakotaFindPython.cmake dakota-6.18.0-public-src-cli/cmake
+
+cd dakota-6.18.0-public-src-cli
+mkdir build
+cd build
+
+export PATH=/tmp/INSTALL_DIR/bin:$PATH
+export PYTHON_INCLUDE_DIRS="$PYTHON_INCLUDE_PATH $PYTHON_DEV_HEADERS_DIR /tmp/INSTALL_DIR/lib"
+export PYTHON_EXECUTABLE=$(which python)
+export LD_LIBRARY_PATH="$INSTALL_DIR/lib:/usr/local/lib:$PYTHON_INCLUDE_PATH:$NUMPY_INCLUDE_PATH:$NUMPY_INCLUDE_PATH/numpy:$PYTHON_DEV_HEADERS_DIR:/tmp/INSTALL_DIR/lib:$LD_LIBRARY_PATH"
+
+echo "export PATH=$PATH" >> $INSTALL_DIR/env
+echo "export LD_LIBRARY_PATH=$LD_LIBRARY_PATH" >> $INSTALL_DIR/env
+echo "export PYTHON_INCLUDE_DIRS=$PYTHON_INCLUDE_DIRS" >> $INSTALL_DIR/env
+echo "export PYTHON_EXECUTABLE=$PYTHON_EXECUTABLE" >> $INSTALL_DIR/env
+
+export BOOST_PYTHON="boost_python$python_version_no_dots"
+export BOOST_ROOT=$INSTALL_DIR
+export PATH="$PATH:$INSTALL_DIR/bin"
+
+# More stable approach: Go via python
+numpy_lib_dir=$(find /tmp/myvenv/ -name numpy.libs)
+export LD_LIBRARY_PATH="/usr/lib:/usr/lib64:$INSTALL_DIR/lib:$INSTALL_DIR/bin:$numpy_lib_dir:$NUMPY_INCLUDE_PATH"
+export CMAKE_LIBRARY_PATH=$(echo $LD_LIBRARY_PATH | sed 's/::/:/g' | sed 's/:/;/g')
+export PYTHON_LIBRARIES="/usr/lib64/"
+export PYTHON_INCLUDE_DIR="/opt/_internal/cpython-3.7.17/include/python3.7m"
+export CMAKE_LINK_OPTS="-Wl,--copy-dt-needed-entries,-l pthread"
+
+echo "export BOOST_PYTHON=$BOOST_PYTHON" >> $INSTALL_DIR/env
+echo "export BOOST_ROOT=$BOOST_ROOT" >> $INSTALL_DIR/env
+echo "export PATH=$PATH" >> $INSTALL_DIR/env
+echo "export LD_LIBRARY_PATH=$LD_LIBRARY_PATH" >> $INSTALL_DIR/env
+echo "export CMAKE_LIBRARY_PATH=\"$CMAKE_LIBRARY_PATH\"" >> $INSTALL_DIR/env
+echo "export PYTHON_LIBRARIES=\"$PYTHON_LIBRARIES\"" >> $INSTALL_DIR/env
+echo "export PYTHON_INCLUDE_DIR=\"$PYTHON_INCLUDE_DIR\"" >> $INSTALL_DIR/env
+
+cmake_command="""
+cmake \
+      -DCMAKE_CXX_STANDARD=14 \
+      -DBUILD_SHARED_LIBS=ON \
+      -DDAKOTA_PYTHON=ON \
+      -DDAKOTA_PYTHON_DIRECT_INTERFACE=ON \
+      -DDAKOTA_PYTHON_DIRECT_INTERFACE_NUMPY=ON \
+      -DDAKOTA_DLL_API=OFF \
+      -DHAVE_X_GRAPHICS=OFF \
+      -DDAKOTA_ENABLE_TESTS=OFF \
+      -DDAKOTA_ENABLE_TPL_TESTS=OFF \
+      -DCMAKE_BUILD_TYPE="Release" \
+      -DDAKOTA_NO_FIND_TRILINOS:BOOL=TRUE \
+      -DCMAKE_INSTALL_PREFIX="$INSTALL_DIR" \
+      -DPYTHON_LIBRARIES=$PYTHON_LIBRARIES \
+      -DCMAKE_LINK_OPTIONS=\"$CMAKE_LINK_OPTS\" \
+      .. &> "$INSTALL_DIR/dakota_bootstrap.log"
+
+"""
+echo "# $cmake_command" >> $INSTALL_DIR/env
+
+echo "Boostrapping Dakota ..."
+$($cmake_command &> $INSTALL_DIR/dakota_bootstrap.log)
+
+echo "# make --debug=b -j8 install" >> $INSTALL_DIR/env
+echo "Building Dakota ..."
+make --debug=b -j8 install &> $INSTALL_DIR/dakota_install.log
+
+cd $INSTALL_DIR/..
+
+
+# Exit venv after this seems to somehow work
+# Does it also work within the venv?
+git clone https://github.com/equinor/Carolina.git
+cd Carolina
+pip install . &> $INSTALL_DIR/carolina_install.log
+
+pip install pytest
+pytest tests # Should not give any errors
+
+pip wheel . -w wheelhouse &> $INSTALL_DIR/carolina_pipwheel.log
+auditwheel repair wheelhouse/* -w dist &> $INSTALL_DIR/carolina_auditwheel_repair.log
+
+# TODO Test that wheel works, and upload dist stuff to pypi
+cp -r dist /github/workspace/dist
+cp -r trace /github/workspace/trace
+
+echo "Copied distributables and installation trace"

dakota_manylinux_install_files/test_wheels_gha.sh

@@ -0,0 +1,9 @@
+$python_exec=$(which python3.10)
+
+$python_exec -m venv /tmp/myvenv
+source /tmp/myvenv/bin/activate
+
+wheel_path=$(find dist/ -name "carolina*.whl")
+pip install $wheel_path
+pip install pytest
+pytest tests/