renaming

#!/usr/bin/env bash

envname=`cat /dev/urandom | tr -dc 'a-zA-Z0-9' | fold -w 16 | head -n 1`

sed -i -- 's/tensorflow$/tensorflow-gpu/g' scripts/install_deepchem_conda.sh

bash scripts/install_deepchem_conda.sh $envname

source activate $envname

python setup.py install

rm examples/results.csv || true

export DEEPCHEM_DATA_DIR='/tmp/molnet_'$envname

mkdir $DEEPCHEM_DATA_DIR

cd examples

python benchmark.py -d tox21 -m weave -m graphconv -m tf_robust -m tf -m irv -m xgb -m logreg --seed 123

export retval_tox21=$?

python benchmark.py -d hiv -m graphconv -m tf -m irv -m logreg --seed 123

export retval_hiv=$?

python benchmark.py -d delaney -m weave_regression -m graphconvreg -m tf_regression -m dag_regression -m mpnn --seed 123

export retval_delaney=$?

python benchmark.py -d qm7 -m dtnn -m graphconvreg -m tf_regression_ft --seed 123

export retval_qm7=$?

cd ..

nosetests -v devtools/jenkins/compare_results.py --with-xunit || true

export retval=$?

source deactivate

conda remove --name $envname --all

python setup.py install

python setup.py install

rm examples/results.csv || true

rm examples/results.csv || true

export DEEPCHEM_DATA_DIR='/tmp/molnet_'$envname

mkdir $DEEPCHEM_DATA_DIR

cd examples

cd examples

python benchmark.py -d tox21

#python benchmark.py -d tox21 -m weave -m graphconv -m tf_robust -m tf -m irv -m xgb -m logreg --seed 123

export retval1=$?

#export retval_tox21=$?

#python benchmark.py -d hiv -m graphconv -m tf -m irv -m logreg --seed 123

#export retval_hiv=$?

python benchmark.py -d delaney -m weave_regression -m graphconvreg -m tf_regression -m dag_regression -m mpnn --seed 123

export retval_delaney=$?

#python benchmark.py -d qm7 -m dtnn -m graphconvreg -m tf_regression_ft --seed 123

#export retval_qm7=$?

cd ..

cd ..

nosetests -v devtools/jenkins/compare_results.py --with-xunit || true

nosetests -v devtools/jenkins/compare_results.py --with-xunit || true

export retval2=$?

export retval2=$?

nosetests -a 'slow' --with-timer deepchem --with-xunit --xunit-file=slow_tests.xml|| true

nosetests -a 'slow' --with-timer deepchem --with-xunit --xunit-file=slow_tests.xml|| true

export retval3=$?

export retval3=$?