Amber GPU CI #13
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| name: Amber GPU CI | |
| on: | |
| workflow_dispatch: | |
| jobs: | |
| build: | |
| runs-on: warp-ubuntu-latest-x64-2x | |
| steps: | |
| - uses: actions/checkout@v2 | |
| with: | |
| lfs: true | |
| - name: Install dependencies | |
| run: | | |
| sudo apt-get update | |
| sudo apt-get upgrade -y | |
| sudo apt-get install -y xorg openbox xauth xserver-xorg-core xserver-xorg ubuntu-desktop aptitude | |
| sudo apt-get install -y tcsh make gcc gfortran flex bison patch bc wget xorg-dev libz-dev libbz2-dev | |
| sudo apt-get install -y cmake | |
| - name: Fix broken dependencies | |
| run: | | |
| sudo apt-get install -f | |
| - name: Install Amber with GPU support | |
| run: | | |
| cd ${{ github.workspace }} | |
| tar xvfj AmberTools23.tar.bz2 | |
| tar xvfj Amber22.tar.bz2 | |
| cd amber22_src/build | |
| echo 'DCMAKE_C_COMPILER=/usr/bin/gcc' >> run_cmake | |
| echo 'DCMAKE_CXX_COMPILER=/usr/bin/g++' >> run_cmake | |
| echo 'DCUDA=TRUE' >> run_cmake | |
| ./run_cmake | |
| make install | |
| - name: Setup Amber environment | |
| run: | | |
| source ${{ github.workspace }}/amber22/amber.sh |