diff --git a/travis/build_env.sh b/travis/build_env.sh index 193a9a7181..75da4baa2f 100755 --- a/travis/build_env.sh +++ b/travis/build_env.sh @@ -1,4 +1,9 @@ #!/usr/bin/env bash +if [[ -z "$APPTAINER_NAME" ]] || [[ -z "$SINGULARITY_NAME" ]] ; then + MYSUDO=sudo +else + MYSUDO=" " +fi if [[ -z "$TRAVIS_BUILD_DIR" ]] ; then TRAVIS_BUILD_DIR=$(pwd) fi @@ -61,20 +66,20 @@ echo DISTR is "$DISTR" curl -sS -LJO https://registrationcenter-download.intel.com/akdlm/IRC_NAS/"$dir_hpc"/"$hpc".dmg echo "installing BaseKit" hdiutil attach "$base".dmg -mountpoint ~/mntdmg -nobrowse - sudo ~/mntdmg/bootstrapper.app/Contents/MacOS/install.sh -c -s --action install \ + $MYSUDO ~/mntdmg/bootstrapper.app/Contents/MacOS/install.sh -c -s --action install \ --components intel.oneapi.mac.mkl.devel --install-dir $IONEAPI_ROOT --eula accept hdiutil detach ~/mntdmg #fix slow ifort https://community.intel.com/t5/Intel-oneAPI-HPC-Toolkit/slow-execution-of-ifort-icpc-on-MacOSX-catalina/m-p/1203190 # echo "installing HPCKit" hdiutil attach "$hpc".dmg -mountpoint ~/mntdmg -nobrowse - sudo ~/mntdmg/bootstrapper.app/Contents/MacOS/install.sh -c -s --eula accept \ + $MYSUDO ~/mntdmg/bootstrapper.app/Contents/MacOS/install.sh -c -s --eula accept \ --action install --components default --install-dir $IONEAPI_ROOT hdiutil detach ~/mntdmg $TRAVIS_BUILD_DIR/travis/fix_xcodebuild.sh - sudo cp xcodebuild "$IONEAPI_ROOT"/compiler/latest/mac/bin/intel64/. + $MYSUDO cp xcodebuild "$IONEAPI_ROOT"/compiler/latest/mac/bin/intel64/. ls -lrta $IONEAPI_ROOT ||true - sudo rm -rf "$IONEAPI_ROOT"/intelpython "$IONEAPI_ROOT"/dal "$IONEAPI_ROOT"/advisor \ + $MYSUDO rm -rf "$IONEAPI_ROOT"/intelpython "$IONEAPI_ROOT"/dal "$IONEAPI_ROOT"/advisor \ "$IONEAPI_ROOT"/ipp "$IONEAPI_ROOT"/conda_channel "$IONEAPI_ROOT"/dnnl \ "$IONEAPI_ROOT"/installer "$IONEAPI_ROOT"/vtune_profiler "$IONEAPI_ROOT"/tbb || true fi @@ -105,13 +110,13 @@ if [[ "$os" == "Linux" ]]; then rpminst=yum fi if [[ "$HOSTNAME" != "fedoraqemuwe40672" ]]; then - sudo $rpminst update; sudo $rpminst -y install perl perl python3-devel time patch cmake gcc-gfortran unzip which make tar bzip2 openssh-clients rsync - sudo $rpminst -y install openblas-serial64 || true + $MYSUDO $rpminst update; $MYSUDO $rpminst -y install perl perl python3-devel time patch cmake gcc-gfortran unzip which make tar bzip2 openssh-clients rsync + $MYSUDO $rpminst -y install openblas-serial64 || true # module load mpi if [[ "$MPI_IMPL" == "openmpi" ]]; then - sudo $rpminst -y install openmpi-devel + $MYSUDO $rpminst -y install openmpi-devel elif [[ "$MPI_IMPL" == "mpich" ]]; then - sudo $rpminst -y install mpich mpich-devel + $MYSUDO $rpminst -y install mpich mpich-devel else echo ready only for openmpi exit 1 @@ -147,11 +152,11 @@ if [[ "$os" == "Linux" ]]; then fi fi if [[ "$GITHUB_WORKFLOW" != "NWChem_CI_selfhosted" ]]; then - sudo apt-get update - sudo apt-get -y install software-properties-common - sudo add-apt-repository universe && sudo apt-get update + $MYSUDO apt-get update + $MYSUDO apt-get -y install software-properties-common + $MYSUDO add-apt-repository universe && $MYSUDO apt-get update if [[ "$FC" == "gfortran-11" ]] || [[ "$CC" == "gcc-11" ]]; then - sudo add-apt-repository -y ppa:ubuntu-toolchain-r/test + $MYSUDO add-apt-repository -y ppa:ubuntu-toolchain-r/test pkg_extra+="gcc-11 gfortran-11 g++-11" fi if [[ "$USE_LIBXC" == "-1" ]]; then @@ -159,7 +164,7 @@ if [[ "$os" == "Linux" ]]; then fi echo pkg to install: gfortran python3-dev make perl python3 rsync $mpi_libdev $mpi_bin $pkg_extra tries=0 ; until [ "$tries" -ge 10 ] ; do \ - sudo apt-get -y install gfortran python3-dev make perl python3 rsync $mpi_libdev $mpi_bin $pkg_extra \ + $MYSUDO apt-get -y install gfortran python3-dev make perl python3 rsync $mpi_libdev $mpi_bin $pkg_extra \ && break ;\ tries=$((tries+1)) ; echo attempt no. $tries ; sleep 30 ; done @@ -192,7 +197,7 @@ if [[ "$os" == "Linux" ]]; then aomp_major=16 aomp_minor=0-3 wget -nv https://github.com/ROCm-Developer-Tools/aomp/releases/download/rel_"$aomp_major"."$aomp_minor"/aomp_Ubuntu2004_"$aomp_major"."$aomp_minor"_amd64.deb - sudo dpkg -i aomp_Ubuntu2004_"$aomp_major"."$aomp_minor"_amd64.deb + $MYSUDO dpkg -i aomp_Ubuntu2004_"$aomp_major"."$aomp_minor"_amd64.deb export PATH=/usr/lib/aomp_"$aomp_major"."$aomp_minor"/bin/:$PATH export LD_LIBRARY_PATH=/usr/lib/aomp_"$aomp_major"."$aomp_minor"/lib:$LD_LIBRARY_PATH ls -lrt /usr/lib | grep aomp ||true @@ -213,34 +218,34 @@ if [[ "$os" == "Linux" ]]; then which flang fi if [[ "$FC" == "amdflang" ]]; then - sudo apt-get install -y wget gnupg2 coreutils dialog tzdata + $MYSUDO apt-get install -y wget gnupg2 coreutils dialog tzdata rocm_version=5.4.3 - wget -q -O - https://repo.radeon.com/rocm/rocm.gpg.key | sudo apt-key add - - echo 'deb [arch=amd64] https://repo.radeon.com/rocm/apt/'$rocm_version'/ ubuntu main' | sudo tee /etc/apt/sources.list.d/rocm.list - sudo apt-get update -y && sudo apt-get -y install rocm-llvm openmp-extras + wget -q -O - https://repo.radeon.com/rocm/rocm.gpg.key | $MYSUDO apt-key add - + echo 'deb [arch=amd64] https://repo.radeon.com/rocm/apt/'$rocm_version'/ ubuntu main' | $MYSUDO tee /etc/apt/sources.list.d/rocm.list + $MYSUDO apt-get update -y && $MYSUDO apt-get -y install rocm-llvm openmp-extras export PATH=/opt/rocm/bin:$PATH export LD_LIBRARY_PATH=/opt/rocm/lib:/opt/rocm/llvm/lib:$LD_LIBRARY_PATH amdflang -v amdclang -v fi if [[ "$FC" == "nvfortran" ]]; then - sudo apt-get -y install lmod g++ libtinfo5 libncursesw5 lua-posix lua-filesystem lua-lpeg lua-luaossl + $MYSUDO apt-get -y install lmod g++ libtinfo5 libncursesw5 lua-posix lua-filesystem lua-lpeg lua-luaossl nv_major=23 nv_minor=3 nverdot="$nv_major"."$nv_minor" nverdash="$nv_major"-"$nv_minor" arch_dpkg=`dpkg --print-architecture` - echo 'deb [trusted=yes] https://developer.download.nvidia.com/hpc-sdk/ubuntu/'$arch_dpkg' /' | sudo tee /etc/apt/sources.list.d/nvhpc.list + echo 'deb [trusted=yes] https://developer.download.nvidia.com/hpc-sdk/ubuntu/'$arch_dpkg' /' | $MYSUDO tee /etc/apt/sources.list.d/nvhpc.list echo '*** added hpc-sdk source to /etc/aps ***' ls -lrt /etc/apt/sources.list.d/ || true ls -lrt /etc/apt/sources.list.d/nvhpc.list || true - sudo cat /etc/apt/sources.list.d/nvhpc.list || true - sudo apt-get update -y + $MYSUDO cat /etc/apt/sources.list.d/nvhpc.list || true + $MYSUDO apt-get update -y apt-cache search nvhpc - sudo apt-get install -y nvhpc-"$nverdash" + $MYSUDO apt-get install -y nvhpc-"$nverdash" export PATH=/opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/bin:$PATH export LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/lib:$LD_LIBRARY_PATH - sudo /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/bin/makelocalrc -x + $MYSUDO /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/bin/makelocalrc -x export FC=nvfortran export CC=gcc