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#!/usr/bin/env bash
# This Source Code Form is subject to the terms of the Mozilla Public
# License, v. 2.0. If a copy of the MPL was not distributed with this
# file, You can obtain one at http://mozilla.org/MPL/2.0/.
if [ -z "$srcdir" ]; then
srcdir="./"
fi
if [ -z "$builddir" ]; then
builddir="./"
fi
funcs=$*
if [ "x$funcs" = "x" ]; then
funcs=$(awk '{print tolower($2)}' ${builddir}../src/xc_funcs.h | sed 's/^xc_//g')
fi
if [ ! -f $builddir/test-suite.log ]; then
echo "Did not find $builddir/test-suite.log"
exit
fi
for func in $funcs; do
dir=${func%%_*}
tmp=${func//${dir}_/}
if [ "x$dir" = "xhyb" ]; then
dir=${dir}_${tmp%%_*}
tmp=${func//${dir}_/}
fi
dir=${dir}_${tmp%%_*}
while read -r lixo lixo2 system nspin type rest; do
if [ "x$nspin" = "x1" ]; then
spin=unpol
else
spin=pol
fi
if [ "x$type" = "xexc" ]; then
order=0
elif [ "x$type" = "xvxc" ]; then
order=1
else
order=2
fi
refname=$func.$system.$spin.$order
echo "processing $refname"
$builddir/xc-regression $func $nspin $order $srcdir/input/$system $srcdir/regression/$dir/$refname > /dev/null
rm -f $srcdir/regression/$dir/$refname.bz2
bzip2 $srcdir/regression/$dir/$refname
done < <(grep " \* $func\s" $builddir/test-suite.log | grep -v "OK")
done
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