deps update and energy file bugfix. #48
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| name: Build jobs | ||
| run-name: | ||
| on: | ||
| push: | ||
| paths: | ||
| - 'src/**' | ||
| - 'lib/**' | ||
| - '3rd_party/**' | ||
| pull_request: | ||
| branches: | ||
| - master | ||
| release: | ||
| types: [ published ] | ||
| jobs: | ||
| build-develop-linux: | ||
| strategy: | ||
| fail-fast: false | ||
| matrix: | ||
| os: [ ubuntu-20.04, ubuntu-22.04, ubuntu-24.04 ] | ||
| compiler: [ gcc, gcc-9, gcc-10, gcc-11, gcc-12, gcc-13, clang ] | ||
| include: | ||
| - os: ubuntu-latest | ||
| compiler: gcc | ||
| - os: ubuntu-latest | ||
| compiler: clang | ||
| - os: ubuntu-20.04 | ||
| compiler: clang-11 | ||
| - os: ubuntu-22.04 | ||
| compiler: clang-13 | ||
| - os: ubuntu-24.04 | ||
| compiler: gcc-14 | ||
| exclude: | ||
| - os: ubuntu-20.04 | ||
| compiler: gcc-12 | ||
| - os: ubuntu-20.04 | ||
| compiler: gcc-13 | ||
| runs-on: ${{ matrix.os }} | ||
| steps: | ||
| - uses: actions/checkout@v4 | ||
| with: | ||
| submodules: true | ||
| - name: Setup C++ | ||
| uses: aminya/[email protected] | ||
| with: | ||
| compiler: ${{ matrix.compiler }} | ||
| cmake: true | ||
| make: true | ||
| - name: "Install dependencies" | ||
| run: | | ||
| sudo apt update && sudo apt install -y \ | ||
| cmake build-essential libboost-test-dev libtbb-dev \ | ||
| libarchive-dev libboost-program-options-dev libboost-filesystem-dev \ | ||
| libboost-system-dev libeigen3-dev liblzma-dev libbz2-dev zlib1g-dev zip | ||
| - name: "Compile supercell." | ||
| run: cmake . -DCMAKE_BUILD_TYPE=Release && make supercell -j 4 | ||
| - name: "Check supercell" | ||
| run: 'src/sc_cli/supercell -d -i ./data/examples/Ca2Al2SiO7/Ca2Al2SiO7.cif | grep -q "The total number of combinations is 6"' | ||
| deploy-build-macos: | ||
| strategy: | ||
| fail-fast: false | ||
| runs-on: macos-13 | ||
| steps: | ||
| - name: Set up Homebrew | ||
| id: set-up-homebrew | ||
| uses: Homebrew/actions/setup-homebrew@master | ||
| - name: "Install brew dependencies" | ||
| run: | | ||
| brew install boost eigen libarchive zlib | ||
| - name: "Get TBB" | ||
| uses: actions/checkout@v4 | ||
| with: | ||
| repository: oneapi-src/oneTBB | ||
| ref: v2021.13.0 | ||
| path: ./tbb | ||
| submodules: true | ||
| - name: "Compile and install tbb" | ||
| working-directory: ./tbb | ||
| run: | | ||
| cmake . -DCMAKE_BUILD_TYPE=Release -DBUILD_SHARED_LIBS=OFF -DTBB_TEST=OFF | ||
| make -j 4 | ||
| sudo make install | ||
| - uses: actions/checkout@v4 | ||
| with: | ||
| path: ./supercell | ||
| submodules: true | ||
| - name: "Compile supercell." | ||
| working-directory: ./supercell | ||
| run: | | ||
| export PKG_CONFIG_PATH="/usr/local/opt/libarchive/lib/pkgconfig" | ||
| cmake . -DCMAKE_BUILD_TYPE=Release -DLINK_STATIC_LIBS=ON -DLibArchive_INCLUDE_DIR=/usr/local/opt/libarchive/include && make supercell -j 4 | ||
| - name: "Check supercell" | ||
| working-directory: ./supercell | ||
| run: 'src/sc_cli/supercell -d -i ./data/examples/Ca2Al2SiO7/Ca2Al2SiO7.cif | grep -q "The total number of combinations is 6"' | ||
| - name: "Check supercell dynamic libs." | ||
| working-directory: ./supercell | ||
| run: 'otool -l src/sc_cli/supercell' | ||
| - name: Upload Supercell | ||
| uses: actions/upload-artifact@v4 | ||
| with: | ||
| name: macos-bin | ||
| path: ./supercell/src/sc_cli/supercell | ||
| deploy-build-linux: | ||
| strategy: | ||
| fail-fast: false | ||
| runs-on: ubuntu-20.04 | ||
| steps: | ||
| - name: "Clone supercell" | ||
| uses: actions/checkout@v4 | ||
| with: | ||
| path: ./supercell | ||
| submodules: true | ||
| - name: "Clone oneTBB" | ||
| uses: actions/checkout@v4 | ||
| with: | ||
| repository: oneapi-src/oneTBB | ||
| ref: v2021.13.0 | ||
| path: ./oneTBB | ||
| submodules: true | ||
| - name: "Clone LibArchive" | ||
| uses: actions/checkout@v4 | ||
| with: | ||
| repository: libarchive/libarchive | ||
| ref: v3.7.4 | ||
| path: ./libarchive | ||
| submodules: true | ||
| - name: "Compile supercell with deps" | ||
| uses: docker://ubuntu:18.04 | ||
| run: | | ||
| apt-get update && apt-get full-upgrade -y | ||
| apt-get install -y software-properties-common wget tar cmake build-essential \ | ||
| ccache libboost-program-options-dev libboost-filesystem-dev libboost-test-dev \ | ||
| libarchive-dev liblzma-dev libbz2-dev zlib1g-dev zip libboost-system-dev | ||
| add-apt-repository ppa:git-core/ppa | ||
| add-apt-repository ppa:ubuntu-toolchain-r/test | ||
| apt-get update | ||
| apt-get install -y git gcc-9 g++-9 | ||
| export CC=gcc-9 | ||
| export CXX=g++-9 | ||
| export PATH="/usr/lib/ccache:$PATH" | ||
| export BASE_DIR=${PWD} | ||
| mkdir eigen && cd eigen | ||
| wget -nv https://gitlab.com/libeigen/eigen/-/archive/3.4.0/eigen-3.4.0.tar.gz -O - | tar -zxf - | ||
| mkdir build && cd build | ||
| cmake ../eigen-3.4.0 | ||
| make install | ||
| cd $BASE_DIR/oneTBB | ||
| mkdir cmake-build && cd cmake-build | ||
| cmake ../ -DCMAKE_BUILD_TYPE=Release -DBUILD_SHARED_LIBS=OFF -DTBB_TEST=OFF | ||
| make -j 4 && make install | ||
| cd $BASE_DIR/libarchive | ||
| ./configure --without-openssl --without-libb2 --without-xml2 --without-expat --disable-bsdtar | ||
| sed -ir '/^.*#define HAVE_LZMA_STREAM_ENCODER_MT 1.*$/d' config.h | ||
| make -j 4 | ||
| make install | ||
| cd $BASE_DIR | ||
| cd supercell | ||
| cmake . -DCMAKE_BUILD_TYPE=Release -DLINK_STATIC_LIBS=ON && make supercell -j 4 | ||
| ccache -s | ||
| supercell/src/sc_cli/supercell -d -i supercell/data/examples/Ca2Al2SiO7/Ca2Al2SiO7.cif | grep -q "The total number of combinations is 6" | ||
| - name: Upload Supercell | ||
| uses: actions/upload-artifact@v4 | ||
| with: | ||
| name: linux-bin | ||
| path: ./supercell/src/sc_cli/supercell | ||
| deploy-build-windows: | ||
| runs-on: ubuntu-22.04 | ||
| steps: | ||
| - name: "Install dependencies" | ||
| run: | | ||
| sudo apt update && sudo apt -y full-upgrade | ||
| sudo apt install -y gcc cmake build-essential wine-stable autopoint gperf intltool libtool libtool-bin lzip p7zip-full python3 python3-mako | ||
| - name: "Download MXE" | ||
| uses: actions/checkout@v4 | ||
| with: | ||
| repository: mxe/mxe | ||
| path: ./mxe | ||
| submodules: true | ||
| - name: Cache | ||
| uses: actions/cache@v4 | ||
| with: | ||
| save-always: true | ||
| path: ./mxe/.ccache | ||
| key: win-cache-${{ github.run_id }} # Can use time based key as well | ||
| restore-keys: | | ||
| win-cache- | ||
| - name: "Compile MXE" | ||
| working-directory: ./mxe | ||
| run: | | ||
| sed -i -r 's/ nettle / /g' src/libarchive.mk && sed -i -r 's/with-nettle/without-nettle --without-openssl --without-iconv /g' src/libarchive.mk | ||
| make MXE_TARGETS=x86_64-w64-mingw32.static MXE_PLUGIN_DIRS=plugins/gcc13 ccache | ||
| echo 'max_size = 15.0G' > .ccache/ccache/ccache.conf | ||
| .ccache/bin/ccache -s | ||
| make MXE_TARGETS=x86_64-w64-mingw32.static MXE_PLUGIN_DIRS=plugins/gcc13 ccache cc cmake intel-tbb boost eigen libarchive --jobs=4 JOBS=4 | ||
| .ccache/bin/ccache -s | ||
| echo "${PWD}/usr/bin" >> $GITHUB_PATH | ||
| - name: "Clone supercell" | ||
| uses: actions/checkout@v4 | ||
| with: | ||
| path: ./supercell | ||
| submodules: true | ||
| - name: "Compile Supercell" | ||
| working-directory: ./supercell | ||
| run: | | ||
| x86_64-w64-mingw32.static-cmake . -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_BUILD_TYPE=Release -DBUILD_DOC=OFF -DLINK_STATIC_LIBS=ON | ||
| make supercell | ||
| - name: "Run supercell" | ||
| working-directory: ./supercell | ||
| run: 'wine64 src/sc_cli/supercell.exe -d -i ./data/examples/Ca2Al2SiO7/Ca2Al2SiO7.cif | grep -q "The total number of combinations is 6"' | ||
| - name: Upload Supercell | ||
| uses: actions/upload-artifact@v4 | ||
| with: | ||
| name: windows-bin | ||
| path: ./supercell/src/sc_cli/supercell.exe | ||
| deploy-to-site: | ||
| if: github.event_name == 'release' | ||
| needs: [ deploy-build-linux, deploy-build-macos, deploy-build-windows ] | ||
| runs-on: ubuntu-latest | ||
| steps: | ||
| - name: "Install dependencies" | ||
| run: | | ||
| sudo apt-get update && sudo apt-get full-upgrade -y | ||
| sudo apt-get update | ||
| sudo apt-get install -y git wget tar openssh-client zip | ||
| - uses: actions/download-artifact@v4 | ||
| with: | ||
| name: linux-bin | ||
| path: ./art/linux | ||
| - uses: actions/download-artifact@v4 | ||
| with: | ||
| name: windows-bin | ||
| path: ./art/windows | ||
| - uses: actions/download-artifact@v4 | ||
| with: | ||
| name: macos-bin | ||
| path: ./art/osx | ||
| - name: "Deploy to file" | ||
| env: | ||
| SITE_REPO_KEY: ${{ secrets.DEPLOY_KEY }} | ||
| run: | | ||
| mkdir ./site && cd ./site | ||
| # Save some useful information | ||
| ART_DIR=${PWD}/../art/ | ||
| DEPLOY_REPO="[email protected]:orex/orex.github.io.git" | ||
| DEPLOY_BRANCH="master" | ||
| DEPLOY_DIR="supercell/external" | ||
| # | ||
| mkdir ~/.ssh | ||
| eval `ssh-agent -s` | ||
| echo "${SITE_REPO_KEY}" | ssh-add - | ||
| ssh-keyscan -t rsa github.com > ~/.ssh/known_hosts | ||
| # Clone the existing gh-pages for this repo into out/ | ||
| # Create a new empty branch if gh-pages doesn't exist yet (should only happen on first deply) | ||
| git clone --recurse-submodules "${DEPLOY_REPO}" --branch "${DEPLOY_BRANCH}" out && cd out | ||
| REPO_PATH=${PWD} | ||
| # Now let's go have some fun with the cloned repo | ||
| git config user.name "Github Action" | ||
| git config user.email "[email protected]" | ||
| #Main code | ||
| mkdir -p "${REPO_PATH}/${DEPLOY_DIR}/exe/." | ||
| cd `mktemp -d -t XXXXXX` | ||
| wget -nv https://github.com/orex/supercell/raw/deploy/README -O README | ||
| for i in ${ART_DIR}/* | ||
| do | ||
| cp -a "${i}"/* . | ||
| OS=`basename "${i}"` | ||
| if [[ "$OS" == "windows" ]]; then | ||
| zip -9 supercell-$OS.zip README supercell.exe | ||
| else | ||
| chmod +x supercell | ||
| tar czvf supercell-$OS.tar.gz README supercell | ||
| fi | ||
| rm -f supercell supercell.exe | ||
| done | ||
| cp -afv supercell-* "${REPO_PATH}/${DEPLOY_DIR}/exe/." | ||
| cd ${REPO_PATH} | ||
| ls -lah | ||
| # Commit the "changes", i.e. the new version. | ||
| # The delta will show diffs between new and old version | ||
| git add --no-ignore-removal . | ||
| git status | ||
| git commit -m "Deploy to GitHub Pages: ${GITHUB_SHA}" | ||
| # Now that we're all set up, we can push. | ||
| git push $DEPLOY_REPO $DEPLOY_BRANCH | ||
