Candidate_v1.7.0
stable
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Last change
on this file since e9f307 was e9f307, checked in by Frederik Heber <frederik.heber@…>, 7 weeks ago |
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MPQC_OPEN: fix validation testsuite after output muting.
- our muting of the mpqc_open output broke the validation test
cases as they diff against the output.
- added "vv" as command-line option for mpqc to enforce output printing.
- FIX: Since perl 5.30 matching an unescaped "{" is deprecated.
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-
Property mode
set to
100644
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File size:
1.3 KB
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| [398fcd] | 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2017 Frederik Heber
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| 4 | #
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| 5 | # This program is free software: you can redistribute it and/or modify
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| 6 | # it under the terms of the GNU General Public License as published by
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| 7 | # the Free Software Foundation, either version 3 of the License, or
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| 8 | # (at your option) any later version.
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| 9 | #
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| 10 | # This program is distributed in the hope that it will be useful,
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| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 13 | # GNU General Public License for more details.
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| 14 | #
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| 15 | # You should have received a copy of the GNU General Public License
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| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 17 | #
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| 18 | ### hfch2opt
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| 19 |
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| 20 | AT_SETUP([input - hfch2opt])
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| 21 | AT_KEYWORDS([INPUTINPUTS hfch2opt])
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| 22 |
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| 23 | # calculate
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| 24 | AT_CHECK([cp -f ${abs_top_srcdir}/src/bin/mpqc/validate/INPUTINPUTS/hfch2opt.qci .], 0, [ignore], [ignore])
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| [e9f307] | 25 | AT_CHECK([../../molecuilder_mpqc -vv ${abs_top_srcdir}/src/bin/mpqc/validate/INPUTINPUTS/hfch2opt.in > hfch2opt.out], 0, [ignore], [ignore])
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| [398fcd] | 26 |
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| 27 | # compare
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| 28 | CHECKOUT="${PERL} -I${abs_top_srcdir}/lib/perl ${abs_top_srcdir}/src/bin/mpqc/validate/checkout.pl"
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| 29 | AT_CHECK([${CHECKOUT} -d . ${abs_top_srcdir}/src/bin/mpqc/validate/INPUTINPUTS/], 0, [ignore], [ignore])
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| 30 |
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| 31 |
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| 32 | AT_CLEANUP
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