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script converted to bash
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1 changed files with 6 additions and 6 deletions
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@ -1,4 +1,4 @@
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#!/bin/csh -x
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#!/usr/bin/env bash
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# script that checks the dbl_to_sngl then sngl_to_dbl name
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# conversion. Any file that does not conform to the
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# all lower case conversion will be flagged as modified
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@ -6,18 +6,18 @@
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#
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echo " dbl2sngl_check @ `hostname` `date`"
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cd
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if (!($?NWCHEM_TOP)) then
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if [ -z "$NWCHEM_TOP" ]; then
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echo " NWCHEM_TOP not set "
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exit 1
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endif
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fi
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cd $NWCHEM_TOP/src
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make directories
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make nwchem_config NWCHEM_MODULES="all"
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set startdate = (`date`)
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startdate=`date`
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#
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$NWCHEM_TOP/contrib/update_look
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/bin/time make dbl_to_sngl
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/bin/time make sngl_to_dbl
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/usr/bin/time make dbl_to_sngl
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/usr/bin/time make sngl_to_dbl
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$NWCHEM_TOP/contrib/update_look
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#
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set finaldate = (`date`)
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