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David Williams-Youngajaypanyalalicense[bot]
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Change ASCI -> MACIS (#8)
* ASCI -> MACIS * Move ASCI headers to a more sane location * Fix CMake tests * Fix subproject test * ...more fixes * ...more fixes * macis -> asci * turn off device backends for blaspp * Add License and README * README++ * Update BLAS++/LAPACK++ URL to GH * Add GH Workflow for License Headers * Broaden License Action Triggers * Add Ignore Paths in License Action * Add Ignore Paths in License Action * Add Ignore Paths in License Action * Committing license headers * Minor * Dox++ + minor refactor of headers * Revamp CI + add missing file * Committing license headers * Change CI target platform * Bump Catch2 for modern GCC patch * Add OpenMP flags to CI matrix * Additional OpenMP insulation * Additional OpenMP insulation * minor * Changed Headers in Discovery / Subproject CMake unit tests * [skip ci] Dox++ * Dox++ --------- Co-authored-by: Ajay Panyala <[email protected]> Co-authored-by: license[bot] <license[bot]@github.com>
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‎.github/.licenserc.yaml

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header:
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license:
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spdx-id: BSD-3-Clause-LBNL
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copyright-year: 2023
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software-name: MACIS
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paths-ignore:
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- .github/
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- attic/
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- tests/ref_data/
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- LICENSE.txt
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- src/lobpcgxx/
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- src/sparsexx/tests/b1_ss/
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- src/sparsexx/tests/mycielskian3/
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comment: never

‎.github/workflows/add_licenses.yaml

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name: Add Licenses
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on:
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workflow_dispatch:
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pull_request:
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jobs:
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license_files:
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v3
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with:
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token: ${{ github.token }}
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- name: Apply Licenses
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uses: wavefunction91/skywalking-eyes@feature/bsd3-lbl
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with:
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config: .github/.licenserc.yaml
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mode: fix
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- name: Push Licensed Files
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uses: EndBug/add-and-commit@v4
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with:
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author_name: license[bot]
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author_email: license[bot]@github.com
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message: 'Committing license headers'
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env:
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GITHUB_TOKEN: ${{ github.token }}

‎.github/workflows/build_and_test.yml

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This file was deleted.

‎.github/workflows/build_and_test_compiler_zoo.yml

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name: Build and Test - Compiler Zoo
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on: [pull_request, workflow_dispatch]
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env:
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GH_ACTIONS_TOOLCHAIN: .github/workflows/toolchains/gh-actions.cmake
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ENV_PREFIX_PATH: "/home/software/install/openblas-lp64-sequential"
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jobs:
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release_build:
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name: Release Build and Test
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runs-on: ubuntu-latest
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container:
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image: dbwy/chemistry
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strategy:
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matrix:
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compiler: [ {suite: gnu, version: 12}, {suite: llvm, version: 14} ]
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openmp_flag: [ON, OFF]
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exclude:
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- compiler: {suite: llvm, version: 14}
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openmp_flag: ON
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steps:
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- uses: actions/checkout@v3
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- name: Setup Compiler
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shell: bash
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run: $GITHUB_WORKSPACE/.github/workflows/scripts/compiler_setup.sh
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${{matrix.compiler.suite}} ${{matrix.compiler.version}}
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- name: Enable or Disable OpenMP
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shell: bash
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run: echo "set(MACIS_ENABLE_OPENMP ${{matrix.openmp_flag}} CACHE BOOL \"\" FORCE)" >>
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${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN}
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- name: Setup Build Type
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shell: bash
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run: echo "set(CMAKE_BUILD_TYPE Release CACHE BOOL \"\" FORCE)" >>
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${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN}
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- name: Configure CMake
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shell: bash
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run: cmake -S $GITHUB_WORKSPACE -B ${{runner.workspace}}/build
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-DCMAKE_INSTALL_PREFIX=${{runner.workspace}}/install
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-DCMAKE_PREFIX_PATH=${ENV_PREFIX_PATH}
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-DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN}
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- name: Build
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shell: bash
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run: cmake --build ${{runner.workspace}}/build -j2
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- name: Test
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shell: bash
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run: cmake --build ${{runner.workspace}}/build --target test
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debug_build:
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name: Debug Build and Test
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runs-on: ubuntu-latest
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container:
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image: dbwy/chemistry
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steps:
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- uses: actions/checkout@v3
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- name: Setup Compiler
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shell: bash
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run: $GITHUB_WORKSPACE/.github/workflows/scripts/compiler_setup.sh gnu 12
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- name: Setup Build Type
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shell: bash
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run: echo "set(CMAKE_BUILD_TYPE Debug CACHE BOOL \"\" FORCE)" >> ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN}
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- name: Configure CMake
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shell: bash
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run: cmake -S $GITHUB_WORKSPACE -B ${{runner.workspace}}/build
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-DCMAKE_INSTALL_PREFIX=${{runner.workspace}}/install
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-DCMAKE_PREFIX_PATH=${ENV_PREFIX_PATH}
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-DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN}
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- name: Build
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shell: bash
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run: cmake --build ${{runner.workspace}}/build -j2
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- name: Test
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shell: bash
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run: cmake --build ${{runner.workspace}}/build --target test
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subproject_build:
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name: Build as Subproject
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needs: release_build
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runs-on: ubuntu-latest
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container:
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image: dbwy/chemistry
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steps:
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- uses: actions/checkout@v3
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- name: Setup Compiler
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shell: bash
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run: $GITHUB_WORKSPACE/.github/workflows/scripts/compiler_setup.sh gnu 12
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- name: CMake Subproject Configure
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shell: bash
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run: cmake -S $GITHUB_WORKSPACE/tests/cmake/subproject
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-B ${{runner.workspace}}/cmake_subproject_build
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-DGITHUB_REPOSITORY=$GITHUB_ACTOR/MACIS
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-DGIT_REVISION=$GITHUB_HEAD_REF
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-DFETCHCONTENT_SOURCE_DIR_MACIS=$GITHUB_WORKSPACE
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-DCMAKE_PREFIX_PATH=${ENV_PREFIX_PATH}
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-DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN}
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- name: CMake Subproject Build
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shell: bash
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run: cmake --build ${{runner.workspace}}/cmake_subproject_build -j2
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cmake_discovery:
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name: CMake Discovery
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needs: release_build
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runs-on: ubuntu-latest
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container:
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image: dbwy/chemistry
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steps:
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- uses: actions/checkout@v3
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- name: Setup Compiler
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shell: bash
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run: $GITHUB_WORKSPACE/.github/workflows/scripts/compiler_setup.sh gnu 12
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- name: Configure CMake
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shell: bash
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run: cmake -S $GITHUB_WORKSPACE -B ${{runner.workspace}}/build
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-DCMAKE_INSTALL_PREFIX=${{runner.workspace}}/install
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-DCMAKE_PREFIX_PATH=${ENV_PREFIX_PATH}
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-DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN}
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- name: Build
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shell: bash
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run: cmake --build ${{runner.workspace}}/build -j2
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- name: Install
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shell: bash
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run: cmake --build ${{runner.workspace}}/build --target install
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- name: CMake Discovery Configure
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shell: bash
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run: cmake -S $GITHUB_WORKSPACE/tests/cmake/discovery -B ${{runner.workspace}}/cmake_discovery_build
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-DCMAKE_PREFIX_PATH="${{runner.workspace}}/install;${ENV_PREFIX_PATH}"
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-DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN}
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- name: CMake Discovery Build
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shell: bash
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run: cmake --build ${{runner.workspace}}/cmake_discovery_build -j2

‎.github/workflows/scripts/compiler_setup.sh

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#/bin/bash
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echo $CC
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echo $CXX
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export CSUITE=$1
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export CVER=$2
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export TOOLCHAIN=$1
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if [[ "${CSUITE}" == "llvm" ]]
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then
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update-alternatives --set clang /usr/bin/clang-${CVER}
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update-alternatives --set clang++ /usr/bin/clang++-${CVER}
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update-alternatives --install /usr/bin/cc cc /usr/bin/clang 30
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update-alternatives --install /usr/bin/c++ c++ /usr/bin/clang++ 30
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elif [[ "${CSUITE}" == "gnu" ]]
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then
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update-alternatives --set gcc /usr/bin/gcc-${CVER}
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update-alternatives --set g++ /usr/bin/g++-${CVER}
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update-alternatives --install /usr/bin/cc cc /usr/bin/gcc 30
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update-alternatives --install /usr/bin/c++ c++ /usr/bin/g++ 30
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else
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echo "Compiler Suite Not Recognized!"
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exit 125
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fi
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sudo apt install ${CC} ${CXX}
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sed -i -e "s/CI_CXX/${CXX}/g" ${TOOLCHAIN}
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sed -i -e "s/CI_C/${CC}/g" ${TOOLCHAIN}
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echo $PWD && cat ${TOOLCHAIN}

‎.github/workflows/toolchains/gh-actions.cmake

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set( CMAKE_C_COMPILER CI_C )
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set( CMAKE_CXX_COMPILER CI_CXX )
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set( CMAKE_Fortran_COMPILER CI_FC )
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set( CMAKE_C_COMPILER cc )
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set( CMAKE_CXX_COMPILER c++ )
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set(CMAKE_CXX_FLAGS_INIT "-march=native")
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set(CMAKE_C_FLAGS_INIT "-march=native")

‎CMakeLists.txt

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# MACIS Copyright (c) 2023, The Regents of the University of California,
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# through Lawrence Berkeley National Laboratory (subject to receipt of
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# any required approvals from the U.S. Dept. of Energy). All rights reserved.
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#
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# See LICENSE.txt for details
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cmake_minimum_required(VERSION 3.14)
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project(asci VERSION 0.1 LANGUAGES C CXX)
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project(MACIS VERSION 0.1 LANGUAGES C CXX)
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option( ASCI_ENABLE_OPENMP "Enable OpenMP Bindings" ON )
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option( ASCI_ENABLE_BOOST "Enable Boost" ON )
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option( MACIS_ENABLE_OPENMP "Enable OpenMP Bindings" ON )
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option( MACIS_ENABLE_BOOST "Enable Boost" ON )
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# CMake Modules
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list( APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake )
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include( asci-cmake-modules )
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if( ASCI_ENABLE_OPENMP )
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include( macis-cmake-modules )
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if( MACIS_ENABLE_OPENMP )
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find_package(OpenMP)
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endif()
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