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62 lines
2 KiB
Text
62 lines
2 KiB
Text
#- env: == default ==
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os=`uname`
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arch=`uname -m`
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#export NWCHEM_TOP=$TRAVIS_BUILD_DIR
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#TARBALL=https://github.com/nwchemgit/nwchem/releases/download/v7.0.0-beta1/nwchem-7.0.0-release.revision-5bcf0416-src.2019-11-01.tar.bz2
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export USE_MPI=y
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if [[ "$os" == "Darwin" ]]; then
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if [[ "$NWCHEM_MODULES" = "tce" && -z "$TARBALL" ]]; then
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export USE_INTERNALBLAS=y
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else
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export USE_64TO32="y"
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export BLASOPT="-L/usr/local/opt/openblas/lib -lopenblas"
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export LAPACK_LIB="-L/usr/local/opt/openblas/lib -lopenblas"
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if [[ "$MPI_IMPL" == "openmpi" ]]; then
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export SCALAPACK="-L/usr/local/lib -lscalapack -lopenblas"
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fi
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fi
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export NWCHEM_TARGET=MACX64
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export DYLD_LIBRARY_PATH=$TRAVIS_BUILD_DIR/lib:$DYLD_LIBRARY_PATH
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if [[ "$MPI_IMPL" == "openmpi" ]]; then
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export PATH=/usr/local/opt/open-mpi/bin/:$PATH
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fi
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if [[ "$MPI_IMPL" == "mpich" ]]; then
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export PATH=/usr/local/opt/mpich/bin/:$PATH
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fi
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fi
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if [[ "$os" == "Linux" ]]; then
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export NWCHEM_TARGET=LINUX64
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if [[ -z "$USE_SIMINT" ]] && [[ "$arch" != "aarch64" ]] && [[ "$NWCHEM_MODULES" != "tce" ]] ; then
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export BUILD_OPENBLAS="y"
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export BUILD_SCALAPACK="y"
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else
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export BLASOPT="-lopenblas"
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export LAPACK_LIB="-lopenblas"
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if [[ "$MPI_IMPL" == "mpich" ]]; then
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export SCALAPACK="-lscalapack-mpich -lopenblas"
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elif [[ "$MPI_IMPL" == "openmpi" ]]; then
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export SCALAPACK="-lscalapack-openmpi -lopenblas"
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fi
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fi
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export USE_64TO32="y"
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if [[ "$arch" == "aarch64" ]]; then
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if [[ "$NWCHEM_MODULES" == "tce" && -z "$TARBALL" ]]; then
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unset BLASOPT
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unset LAPACK_LIB
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unset SCALAPACK
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export USE_INTERNALBLAS=y
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unset USE_64TO32
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unset BLAS_SIZE
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unset SCALAPACK_SIZE
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fi
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fi
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# fi
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fi
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export OMP_NUM_THREADS=1
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export USE_NOIO=1
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if [[ "$USE_64TO32" == "y" ]]; then
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export BLAS_SIZE=4
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export SCALAPACK_SIZE=4
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fi
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export NWCHEM_EXECUTABLE=$TRAVIS_BUILD_DIR/.cachedir/binaries/$NWCHEM_TARGET/nwchem_"$arch"_`echo $NWCHEM_MODULES|sed 's/ /-/g'`_"$MPI_IMPL"
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