source: tests/integration/Makefile.am@ 167523

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 167523 was 167523, checked in by Frederik Heber <frederik.heber@…>, 7 years ago

Added integration tests on Structure Optimization.

  • we use the same systems as in MD case except for water-filled box which does not make sense as long as we do not use long-range forces.
  • also we perturb the configurations randomly with a set seed and everything.
  • Property mode set to 100755
File size: 2.6 KB
Line 
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 \
14 $(srcdir)/FragmentJobs/testsuite-integration-fragmentjobs.at \
15 $(srcdir)/FragmentJobs/testsuite-integration-fragmentjobs-mpqc-jobs.at \
16 $(srcdir)/FragmentJobs/testsuite-integration-fragmentjobs-vmg-jobs.at \
17 $(srcdir)/MolecularDynamics/testsuite-integration-moleculardynamics.at \
18 $(srcdir)/MolecularDynamics/testsuite-integration-moleculardynamics-water.at \
19 $(srcdir)/MolecularDynamics/testsuite-integration-moleculardynamics-methane.at \
20 $(srcdir)/MolecularDynamics/testsuite-integration-moleculardynamics-ethane.at \
21 $(srcdir)/MolecularDynamics/testsuite-integration-moleculardynamics-water-system.at \
22 $(srcdir)/StructureOptimization/testsuite-integration-structureoptimization.at \
23 $(srcdir)/StructureOptimization/testsuite-integration-structureoptimization-water.at \
24 $(srcdir)/StructureOptimization/testsuite-integration-structureoptimization-methane.at \
25 $(srcdir)/StructureOptimization/testsuite-integration-structureoptimization-ethane.at
26endif
27
28EXTRA_DIST = \
29 testsuite.at \
30 $(TESTSUITE) \
31 atlocal.in \
32 molecuilder.in \
33 molecuilder_poolworker.in \
34 package.m4 \
35 pre \
36 $(TESTSCRIPTS)
37
38if CONDJOBMARKET
39max_jobs = 8
40
41check-local: atconfig atlocal $(TESTSUITE) $(TESTSCRIPTS)
42 nrjobs=; \
43 for flag in $$MAKEFLAGS; do \
44 case $$flag in \
45 --* | =*=) ;; \
46 *j*) nrjobs="-j$(max_jobs)" ;; \
47 esac; \
48 done; \
49 $(SHELL) '$(TESTSUITE)' $$nrjobs AUTOTEST_PATH='$(abs_top_builddir)/src' $(TESTSUITEFLAGS)
50
51installcheck-local: atconfig atlocal $(TESTSUITE)
52 nrjobs=; \
53 for flag in $$MAKEFLAGS; do \
54 case $$flag in \
55 --* | =*=) ;; \
56 *j*) nrjobs="-j$(max_jobs)" ;; \
57 esac; \
58 done; \
59 $(SHELL) '$(TESTSUITE)' $$nrjobs AUTOTEST_PATH='$(bindir)' $(TESTSUITEFLAGS)
60
61clean-local:
62 test ! -f '$(TESTSUITE)' || \
63 $(SHELL) '$(TESTSUITE)' --clean
64
65AUTOTEST = $(AUTOM4TE) --language=autotest
66$(TESTSUITE): $(srcdir)/testsuite.at package.m4 $(TESTSCRIPTS)
67 $(AUTOTEST) -I '$(srcdir)' -o $@.tmp $@.at
68 mv $@.tmp $@
69endif
70
71# The `:;' works around a Bash 3.2 bug when the output is not writeable.
72package.m4: $(top_srcdir)/configure.ac
73 :;{ \
74 echo '# Signature of the current package.' && \
75 echo 'm4_define([AT_PACKAGE_NAME], [@PACKAGE_NAME@])' && \
76 echo 'm4_define([AT_PACKAGE_TARNAME], [@PACKAGE_TARNAME@])' && \
77 echo 'm4_define([AT_PACKAGE_VERSION], [@PACKAGE_VERSION@])' && \
78 echo 'm4_define([AT_PACKAGE_STRING], [@PACKAGE_STRING@])' && \
79 echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
80 } >'package.m4'
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