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#!/bin/bash
echo "start compile"
set -ev
# source env. variables
source $TRAVIS_BUILD_DIR/travis/nwchem.bashrc
ls -lrt $TRAVIS_BUILD_DIR|tail -3
os=`uname`
arch=`uname -m`
if [[ "$NWCHEM_MODULES" == "tce" ]]; then
export EACCSD=1
export IPCCSD=1
fi
cd $TRAVIS_BUILD_DIR/src
if [[ "$arch" == "aarch64" ]]; then
if [[ "$NWCHEM_MODULES" == "tce" ]]; then
FOPT2="-O0 -fno-aggressive-loop-optimizations"
else
FOPT2="-O1 -fno-aggressive-loop-optimizations"
fi
else
FOPT2="-O2 -fno-aggressive-loop-optimizations"
fi
if [[ "$os" == "Darwin" ]]; then
if [[ "$NWCHEM_MODULES" == "tce" ]]; then
FOPT2="-O1 -fno-aggressive-loop-optimizations"
fi
if [[ ! -z "$USE_SIMINT" ]] ; then
FOPT2="-O0 -fno-aggressive-loop-optimizations"
SIMINT_BUILD_TYPE=Debug
export PATH="/usr/local/opt/python@3.8/bin:$PATH"
# export LDFLAGS="-L/usr/local/opt/python@3.8/lib:$LDFLAGS"
fi
../travis/sleep_loop.sh make FDEBUG="-O0 -g" FOPTIMIZE="$FOPT2" -j3
cd $TRAVIS_BUILD_DIR/src/64to32blas
make
cd $TRAVIS_BUILD_DIR/src
../contrib/getmem.nwchem 1000
otool -L ../bin/MACX64/nwchem
# printenv DYLD_LIBRARY_PATH
# ls -lrt $DYLD_LIBRARY_PATH
# tail -120 make.log
elif [[ "$os" == "Linux" ]]; then
if [[ "$arch" == "aarch64" ]]; then
export MAKEFLAGS=-j8
else
export MAKEFLAGS=-j3
fi
../travis/sleep_loop.sh make FDEBUG="-O0 -g" FOPTIMIZE="$FOPT2"
cd $TRAVIS_BUILD_DIR/src/64to32blas
make
cd $TRAVIS_BUILD_DIR/src
$TRAVIS_BUILD_DIR/contrib/getmem.nwchem 1000
fi
#caching
mkdir -p $TRAVIS_BUILD_DIR/.cachedir/binaries/$NWCHEM_TARGET $TRAVIS_BUILD_DIR/.cachedir/files
cp $TRAVIS_BUILD_DIR/bin/$NWCHEM_TARGET/nwchem $NWCHEM_EXECUTABLE
echo === ls binaries cache ===
ls -lrt $TRAVIS_BUILD_DIR/.cachedir/binaries/$NWCHEM_TARGET/
echo =========================
rsync -av $TRAVIS_BUILD_DIR/src/basis/libraries $TRAVIS_BUILD_DIR/.cachedir/files/.
|
