deps update and energy file bugfix. #60
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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: "Compile supercell with deps" | |
| uses: addnab/docker-run-action@v3 | |
| with: | |
| image: ubuntu:18.04 | |
| options: -v ${{ github.workspace }}:/work | |
| run: | | |
| apt-get update && apt-get full-upgrade -y | |
| apt-get install -y software-properties-common wget tar cmake build-essential \ | |
| ccache libboost-program-options-dev libboost-filesystem-dev libboost-test-dev \ | |
| libarchive-dev liblzma-dev libbz2-dev zlib1g-dev zip libboost-system-dev automake | |
| add-apt-repository ppa:git-core/ppa | |
| add-apt-repository ppa:ubuntu-toolchain-r/test | |
| apt-get update | |
| apt-get install -y git gcc-9 g++-9 | |
| export CC=gcc-9 | |
| export CXX=g++-9 | |
| export PATH="/usr/lib/ccache:$PATH" | |
| export BASE_DIR="/work" | |
| mkdir ${BASE_DIR}/eigen && cd ${BASE_DIR}/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 $BASE_DIR/oneTBB | |
| mkdir cmake-build && cd cmake-build | |
| cmake ../ -DCMAKE_BUILD_TYPE=Release -DBUILD_SHARED_LIBS=OFF -DTBB_TEST=OFF | |
| make -j 4 && make install | |
| wget -nv https://github.com/libarchive/libarchive/releases/download/v3.7.4/libarchive-3.7.4.tar.gz -O - | tar -zxf - | |
| cd libarchive-3.7.4 | |
| ./configure --without-openssl --without-libb2 --without-xml2 --without-expat --disable-bsdtar | |
| sed -ir '/^.*#define HAVE_LZMA_STREAM_ENCODER_MT 1.*$/d' config.h | |
| make -j 4 | |
| make install | |
| cd $BASE_DIR/supercell | |
| cmake . -DCMAKE_BUILD_TYPE=Release -DLINK_STATIC_LIBS=ON && make supercell -j 4 | |
| ccache -s | |
| supercell/src/sc_cli/supercell -d -i supercell/data/examples/Ca2Al2SiO7/Ca2Al2SiO7.cif | grep -q "The total number of combinations is 6" | |
| - name: Upload Supercell | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: linux-bin | |
| path: ./supercell/src/sc_cli/supercell | |
| deploy-build-windows: | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - name: "Install dependencies" | |
| run: | | |
| sudo apt update && sudo apt -y full-upgrade | |
| sudo apt install -y gcc cmake build-essential wine-stable autopoint gperf intltool libtool libtool-bin lzip p7zip-full python3 python3-mako | |
| - name: "Download MXE" | |
| uses: actions/checkout@v4 | |
| with: | |
| repository: mxe/mxe | |
| path: ./mxe | |
| submodules: true | |
| - name: Cache | |
| uses: actions/cache@v4 | |
| with: | |
| save-always: true | |
| path: ./mxe/.ccache | |
| key: win-cache-${{ 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 |