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24 lines
639 B
Bash
Executable file
24 lines
639 B
Bash
Executable file
#!/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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# on the second update_look
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#
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echo " dbl2sngl_check @ `hostname` `date`"
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cd
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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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fi
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cd $NWCHEM_TOP/src
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make directories
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make nwchem_config NWCHEM_MODULES="all"
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startdate=`date`
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#
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$NWCHEM_TOP/contrib/update_look
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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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echo "start: $startdate finished: $finaldate"
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