source: tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at@ 38f991

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Last change on this file since 38f991 was 7db9bd, checked in by Frederik Heber <heber@…>, 14 years ago

DISTCHECKFIX: Replaced AUTOTEST_PATH by real path (e.g. tests/regression).

  • this corrects VPATH problems with 'make distcheck'.
  • Property mode set to 100644
File size: 1.5 KB
Line 
1### MPQC basis
2
3AT_SETUP([Parser - MPQC - check in file])
4AT_KEYWORDS([options,mpqc,set-mpqc-parameters,basis,maxiter,theory])
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6AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/testCLHF.in -v 1 --set-mpqc-parameters "basis = 4-31G;maxiter=499;theory=CLKS;"], 0, [stdout], [ignore])
7AT_CHECK([file=testCLHF.in; diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/post/testCLHF.in], 0, [ignore], [ignore])
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9AT_CLEANUP
10
11
12AT_SETUP([Parser - MPQC - check in file with Undo])
13AT_XFAIL_IF([/bin/true])
14AT_KEYWORDS([options,mpqc,set-mpqc-parameters,basis,maxiter,theory,undo])
15
16AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/testCLHF.in -v 1 --set-mpqc-parameters "basis = 4-31G;maxiter=499;theory=CLKS;" --undo], 0, [stdout], [ignore])
17AT_CHECK([file=testCLHF.in; diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/post/testCLHF.in], 0, [ignore], [ignore])
18
19AT_CLEANUP
20
21
22AT_SETUP([Parser - MPQC - check in file with Redo])
23AT_KEYWORDS([options,mpqc,set-mpqc-parameters,basis,maxiter,theory,redo])
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25AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/testCLHF.in -v 1 --set-mpqc-parameters "basis = 4-31G;maxiter=499;theory=CLKS;" --undo --redo], 0, [stdout], [ignore])
26AT_CHECK([file=testCLHF.in; diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/post/testCLHF.in], 0, [ignore], [ignore])
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28AT_CLEANUP
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