# # MoleCuilder - creates and alters molecular systems # Copyright (C) 2008-2012 University of Bonn # # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program. If not, see . # ### test stand-in mpqc program # first check that out stand-in mpqc does what it should do AT_SETUP([Fragmentation - Automation: Stand-in mpqc]) AT_KEYWORDS([fragmentation automation mpqcstub ]) # check failure when no file is given AT_CHECK([../../mpqc], 134, [ignore], [ignore]) # Create Job00.in AT_CHECK([echo "${abs_top_srcdir}/tests/JobMarket/pre/BondFragment00.out" >Job00.in], 0) # check prints the output file when given input file AT_CHECK([../../mpqc Job00.in], 0, [stdout], [ignore]) AT_CHECK([diff stdout ${abs_top_srcdir}/tests/JobMarket/pre/BondFragment00.out], 0, [ignore], [ignore]) AT_CLEANUP