NWChem/QA/domknwchemenv
Yuri Victorovich 7b3d60dce7 Fix bash shebangs: make /usr/bin/env find bash in paths
This is needed on FreeBSD and other systems where bash isn't located in /bin/bash.
2021-11-07 14:06:22 -08:00

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#!/usr/bin/env bash
#
# $Id$
#
#--- Set the appropriate environment variables for the tests.
#--- Environment variables are preferred to avoid clashes with other
#--- calculation on the same machine so where possible we will use those
#
here="`pwd`"
export NWCHEM_NWPW_LIBRARY="${here}/../src/nwpw/libraryps/"
export NWCHEM_BASIS_LIBRARY="${here}/../src/basis/libraries/"
export NWCHEM_SCRATCH_DIR="${here}/scratchdir"
export NWCHEM_PERMANENT_DIR="${here}/scratchdir"
#export NWCHEM_MEMORY_TOTAL=65536000 # 500 MB