source: tests/integration/Makefile.am@ 0aae02

Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 0aae02 was 0aae02, checked in by Frederik Heber <frederik.heber@…>, 7 years ago

Added integration test molecular dynamics of a water molecule.

  • we test for forces (actually full state) in first two steps and the overall temperature profile.
  • Property mode set to 100755
File size: 2.1 KB
RevLine 
[83fa5c]1AUTOM4TE = $(SHELL) $(top_srcdir)/build-aux/missing --run autom4te
2
3if CONDJOBMARKET
4TESTSUITE = $(srcdir)/testsuite
5endif
6
7DISTCLEANFILES = atconfig
8
9TESTSCRIPTS =
10
11if CONDJOBMARKET
12TESTSCRIPTS += \
13 $(srcdir)/testsuite-integration.at \
[6491d3]14 $(srcdir)/FragmentJobs/testsuite-integration-fragmentjobs.at \
15 $(srcdir)/FragmentJobs/testsuite-integration-fragmentjobs-mpqc-jobs.at \
[0aae02]16 $(srcdir)/FragmentJobs/testsuite-integration-fragmentjobs-vmg-jobs.at \
17 $(srcdir)/MolecularDynamics/testsuite-integration-moleculardynamics.at \
18 $(srcdir)/MolecularDynamics/testsuite-integration-moleculardynamics-water.at
[83fa5c]19endif
20
21EXTRA_DIST = \
22 testsuite.at \
23 $(TESTSUITE) \
24 atlocal.in \
25 molecuilder.in \
[de51d2]26 molecuilder_poolworker.in \
[83fa5c]27 package.m4 \
28 pre \
29 $(TESTSCRIPTS)
30
31if CONDJOBMARKET
[854a1e]32max_jobs = 8
[83fa5c]33
34check-local: atconfig atlocal $(TESTSUITE) $(TESTSCRIPTS)
35 nrjobs=; \
36 for flag in $$MAKEFLAGS; do \
37 case $$flag in \
38 --* | =*=) ;; \
39 *j*) nrjobs="-j$(max_jobs)" ;; \
40 esac; \
41 done; \
42 $(SHELL) '$(TESTSUITE)' $$nrjobs AUTOTEST_PATH='$(abs_top_builddir)/src' $(TESTSUITEFLAGS)
43
44installcheck-local: atconfig atlocal $(TESTSUITE)
45 nrjobs=; \
46 for flag in $$MAKEFLAGS; do \
47 case $$flag in \
48 --* | =*=) ;; \
49 *j*) nrjobs="-j$(max_jobs)" ;; \
50 esac; \
51 done; \
52 $(SHELL) '$(TESTSUITE)' $$nrjobs AUTOTEST_PATH='$(bindir)' $(TESTSUITEFLAGS)
53
54clean-local:
55 test ! -f '$(TESTSUITE)' || \
56 $(SHELL) '$(TESTSUITE)' --clean
57
58AUTOTEST = $(AUTOM4TE) --language=autotest
59$(TESTSUITE): $(srcdir)/testsuite.at package.m4 $(TESTSCRIPTS)
60 $(AUTOTEST) -I '$(srcdir)' -o $@.tmp $@.at
61 mv $@.tmp $@
62endif
63
64# The `:;' works around a Bash 3.2 bug when the output is not writeable.
65package.m4: $(top_srcdir)/configure.ac
66 :;{ \
67 echo '# Signature of the current package.' && \
68 echo 'm4_define([AT_PACKAGE_NAME], [@PACKAGE_NAME@])' && \
69 echo 'm4_define([AT_PACKAGE_TARNAME], [@PACKAGE_TARNAME@])' && \
70 echo 'm4_define([AT_PACKAGE_VERSION], [@PACKAGE_VERSION@])' && \
71 echo 'm4_define([AT_PACKAGE_STRING], [@PACKAGE_STRING@])' && \
72 echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
73 } >'package.m4'
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