| 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2008-2012 University of Bonn
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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 | # Process with autom4te to create an -*- Autotest -*- test suite.
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| 19 | #
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| 20 | # see regression/... subdirs wherein for each of the cases and each check (enumerated) is a pre and post dir.
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| 21 | # In pre initial files are placed, in post results can be found to be checked by diff in this testsuite.
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| 22 |
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| 23 | AT_INIT([Molecular Builder])
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| 24 | AT_TESTED(basename egrep find grep sed)
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| 25 |
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| 26 | # Use colored output with new-enough Autotest.
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| 27 | m4_ifdef([AT_COLOR_TESTS], [AT_COLOR_TESTS])
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| 28 |
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| 29 | AT_BANNER([MoleCuilder - Calculations Checks])
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| 30 | m4_include(atlocal)
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| 31 |
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| 32 | # MPQC can be found and runs
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| 33 | m4_include(testsuite-calculations-mpqc.at)
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| 34 |
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| 35 | # now all the molecules
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| 36 | m4_include(testsuite-calculations-1_2-dimethoxyethane.at)
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| 37 | m4_include(testsuite-calculations-1_2-dimethylbenzene.at)
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| 38 | m4_include(testsuite-calculations-2-methylcyclohexanone.at)
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| 39 | m4_include(testsuite-calculations-anthracene.at)
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| 40 | m4_include(testsuite-calculations-benzene.at)
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| 41 | m4_include(testsuite-calculations-cholesterol.at)
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| 42 | m4_include(testsuite-calculations-coronene.at)
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| 43 | m4_include(testsuite-calculations-cycloheptane.at)
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| 44 | m4_include(testsuite-calculations-dimethyl_bromomalonate.at)
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| 45 | m4_include(testsuite-calculations-glucose.at)
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| 46 | m4_include(testsuite-calculations-heptan.at)
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| 47 | m4_include(testsuite-calculations-isoleucine.at)
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| 48 | m4_include(testsuite-calculations-naphthalene.at)
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| 49 | m4_include(testsuite-calculations-neohexane.at)
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| 50 | m4_include(testsuite-calculations-N_N-dimethylacetamide.at)
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| 51 | m4_include(testsuite-calculations-phenanthrene.at)
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| 52 | m4_include(testsuite-calculations-proline.at)
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| 53 | m4_include(testsuite-calculations-putrescine.at)
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| 54 | m4_include(testsuite-calculations-tartaric_acid.at)
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| 55 |
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