Ignore:
Timestamp:
Mar 2, 2017, 12:28:36 PM (8 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_ChronosMutex, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, Subpackage_levmar, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable
Children:
e2a57d
Parents:
318d5a
git-author:
Frederik Heber <heber@…> (02/08/17 21:37:21)
git-committer:
Frederik Heber <heber@…> (03/02/17 12:28:36)
Message:

Split SOURCES and HEADERS and prepended subdir.

Location:
ThirdParty/mpqc_open/src/lib/chemistry
Files:
1 deleted
14 edited

Legend:

Unmodified
Added
Removed

  • ThirdParty/mpqc_open/src/lib/chemistry/cca/Makefile.am

    r318d5a r23612c  
    11LIBSCCCASOURCES = \
    2                 basis_cca_to_sc.cc except.cc MPQC_Chemistry_Molecule_Impl.cc MPQC_Chemistry_MoleculeViewer_Impl.cc MPQC_ChemistryOpt_CoordinateModel_Impl.cc MPQC_Chemistry_QC_ModelFactory_Impl.cc MPQC_Chemistry_QC_Model_Impl.cc MPQC_ComponentClassDescription_Impl.cc MPQC_ComponentFactory_Impl.cc MPQC_GaussianBasis_Atomic_Impl.cc MPQC_GaussianBasis_Molecular_Impl.cc MPQC_GaussianBasis_Shell_Impl.cc MPQC_IntegralEvaluator2_Impl.cc MPQC_IntegralEvaluator3_Impl.cc MPQC_IntegralEvaluator4_Impl.cc MPQC_IntegralEvaluatorFactory_Impl.cc MPQC_Physics_Units_Impl.cc MPQC_SimpleDriver_Impl.cc socket.cc
     2        chemistry/cca/basis_cca_to_sc.cc \
     3        chemistry/cca/except.cc \
     4        chemistry/cca/MPQC_Chemistry_Molecule_Impl.cc \
     5        chemistry/cca/MPQC_Chemistry_MoleculeViewer_Impl.cc \
     6        chemistry/cca/MPQC_ChemistryOpt_CoordinateModel_Impl.cc \
     7        chemistry/cca/MPQC_Chemistry_QC_ModelFactory_Impl.cc \
     8        chemistry/cca/MPQC_Chemistry_QC_Model_Impl.cc \
     9        chemistry/cca/MPQC_ComponentClassDescription_Impl.cc \
     10        chemistry/cca/MPQC_ComponentFactory_Impl.cc \
     11        chemistry/cca/MPQC_GaussianBasis_Atomic_Impl.cc \
     12        chemistry/cca/MPQC_GaussianBasis_Molecular_Impl.cc \
     13        chemistry/cca/MPQC_GaussianBasis_Shell_Impl.cc \
     14        chemistry/cca/MPQC_IntegralEvaluator2_Impl.cc \
     15        chemistry/cca/MPQC_IntegralEvaluator3_Impl.cc \
     16        chemistry/cca/MPQC_IntegralEvaluator4_Impl.cc \
     17        chemistry/cca/MPQC_IntegralEvaluatorFactory_Impl.cc \
     18        chemistry/cca/MPQC_Physics_Units_Impl.cc \
     19        chemistry/cca/MPQC_SimpleDriver_Impl.cc \
     20        chemistry/cca/socket.cc
     21
    322
    423LIBSCCCAHEADERS = \
    5                 ccaiter.h except.h LIBS.h MPQC_Chemistry_Molecule_Impl.hh MPQC_Chemistry_MoleculeViewer_Impl.hh MPQC_ChemistryOpt_CoordinateModel_Impl.hh MPQC_Chemistry_QC_ModelFactory_Impl.hh MPQC_Chemistry_QC_Model_Impl.hh MPQC_ComponentClassDescription_Impl.hh MPQC_ComponentFactory_Impl.hh MPQC_GaussianBasis_Atomic_Impl.hh MPQC_GaussianBasis_Molecular_Impl.hh MPQC_GaussianBasis_Shell_Impl.hh MPQC_IntegralEvaluator2_Impl.hh MPQC_IntegralEvaluator3_Impl.hh MPQC_IntegralEvaluator4_Impl.hh MPQC_IntegralEvaluatorFactory_Impl.hh MPQC_Physics_Units_Impl.hh MPQC_SimpleDriver_Impl.hh socket.h
     24        chemistry/cca/ccaiter.h \
     25        chemistry/cca/except.h \
     26        chemistry/cca/LIBS.h \
     27        chemistry/cca/MPQC_Chemistry_Molecule_Impl.hh \
     28        chemistry/cca/MPQC_Chemistry_MoleculeViewer_Impl.hh \
     29        chemistry/cca/MPQC_ChemistryOpt_CoordinateModel_Impl.hh \
     30        chemistry/cca/MPQC_Chemistry_QC_ModelFactory_Impl.hh \
     31        chemistry/cca/MPQC_Chemistry_QC_Model_Impl.hh \
     32        chemistry/cca/MPQC_ComponentClassDescription_Impl.hh \
     33        chemistry/cca/MPQC_ComponentFactory_Impl.hh \
     34        chemistry/cca/MPQC_GaussianBasis_Atomic_Impl.hh \
     35        chemistry/cca/MPQC_GaussianBasis_Molecular_Impl.hh \
     36        chemistry/cca/MPQC_GaussianBasis_Shell_Impl.hh \
     37        chemistry/cca/MPQC_IntegralEvaluator2_Impl.hh \
     38        chemistry/cca/MPQC_IntegralEvaluator3_Impl.hh \
     39        chemistry/cca/MPQC_IntegralEvaluator4_Impl.hh \
     40        chemistry/cca/MPQC_IntegralEvaluatorFactory_Impl.hh \
     41        chemistry/cca/MPQC_Physics_Units_Impl.hh \
     42        chemistry/cca/MPQC_SimpleDriver_Impl.hh \
     43        chemistry/cca/socket.h
     44
    645
    746lib_LTLIBRARIES +=
    … …  
    4382#nodist_libSCcca_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4483
     84

  • ThirdParty/mpqc_open/src/lib/chemistry/molecule/Makefile.am

    r318d5a r23612c  
    11LIBSCMOLECULESOURCES = \
    2                 atominfo.cc bend.cc cartcoor.cc coor.cc energy.cc fdhess.cc formula.cc hess.cc imcoor.cc linip.cc linop.cc molecule.cc molfreq.cc molrender.cc molshape.cc molsymm.cc out.cc redund.cc simple.cc stors.cc stre.cc symmcoor.cc taylor.cc tors.cc
     2        chemistry/molecule/atominfo.cc \
     3        chemistry/molecule/bend.cc \
     4        chemistry/molecule/cartcoor.cc \
     5        chemistry/molecule/coor.cc \
     6        chemistry/molecule/energy.cc \
     7        chemistry/molecule/fdhess.cc \
     8        chemistry/molecule/formula.cc \
     9        chemistry/molecule/hess.cc \
     10        chemistry/molecule/imcoor.cc \
     11        chemistry/molecule/linip.cc \
     12        chemistry/molecule/linop.cc \
     13        chemistry/molecule/molecule.cc \
     14        chemistry/molecule/molfreq.cc \
     15        chemistry/molecule/molrender.cc \
     16        chemistry/molecule/molshape.cc \
     17        chemistry/molecule/molsymm.cc \
     18        chemistry/molecule/out.cc \
     19        chemistry/molecule/redund.cc \
     20        chemistry/molecule/simple.cc \
     21        chemistry/molecule/stors.cc \
     22        chemistry/molecule/stre.cc \
     23        chemistry/molecule/symmcoor.cc \
     24        chemistry/molecule/taylor.cc \
     25        chemistry/molecule/tors.cc
     26
    327
    428LIBSCMOLECULEHEADERS = \
    5                 atominfo.h coor.h energy.h fdhess.h formula.h hess.h linkage.h localdef.h molecule.h molfreq.h molrender.h molshape.h simple.h taylor.h
     29        chemistry/molecule/atominfo.h \
     30        chemistry/molecule/coor.h \
     31        chemistry/molecule/energy.h \
     32        chemistry/molecule/fdhess.h \
     33        chemistry/molecule/formula.h \
     34        chemistry/molecule/hess.h \
     35        chemistry/molecule/linkage.h \
     36        chemistry/molecule/localdef.h \
     37        chemistry/molecule/molecule.h \
     38        chemistry/molecule/molfreq.h \
     39        chemistry/molecule/molrender.h \
     40        chemistry/molecule/molshape.h \
     41        chemistry/molecule/simple.h \
     42        chemistry/molecule/taylor.h
     43
    644
    745lib_LTLIBRARIES +=
    … …  
    4381#nodist_libSCmolecule_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4482
     83
    4584MOLECULETESTS = \
    4685        moltest \
    … …  
    5594        libSCcontainer.la libSCref.la libSCmisc.la
    5695
    57 moltest_SOURCES = moltest.cc
     96moltest_SOURCES = \
     97        chemistry/molecule/moltest.cc
    5898moltest_LDADD = \
    5999        $(MOLECULELIBS)
    60100
    61 symmetrize_SOURCES = symmetrize.cc
     101symmetrize_SOURCES = \
     102        chemistry/molecule/symmetrize.cc
    62103symmetrize_LDADD = \
    63104        $(MOLECULELIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/Makefile.am

    r318d5a r23612c  
    11LIBSCBASISSOURCES = \
    2                 aotoso.cc cartiter.cc dercent.cc distshpair.cc extent.cc files.cc gaussbas.cc gaussbaval.cc gaussshell.cc gaussshval.cc gpetite.cc integral.cc obint.cc orthog.cc petite.cc shellrot.cc sobasis.cc sointegral.cc symmint.cc tbint.cc transform.cc
     2        chemistry/qc/basis/aotoso.cc \
     3        chemistry/qc/basis/cartiter.cc \
     4        chemistry/qc/basis/dercent.cc \
     5        chemistry/qc/basis/distshpair.cc \
     6        chemistry/qc/basis/extent.cc \
     7        chemistry/qc/basis/files.cc \
     8        chemistry/qc/basis/gaussbas.cc \
     9        chemistry/qc/basis/gaussbaval.cc \
     10        chemistry/qc/basis/gaussshell.cc \
     11        chemistry/qc/basis/gaussshval.cc \
     12        chemistry/qc/basis/gpetite.cc \
     13        chemistry/qc/basis/integral.cc \
     14        chemistry/qc/basis/obint.cc \
     15        chemistry/qc/basis/orthog.cc \
     16        chemistry/qc/basis/petite.cc \
     17        chemistry/qc/basis/shellrot.cc \
     18        chemistry/qc/basis/sobasis.cc \
     19        chemistry/qc/basis/sointegral.cc \
     20        chemistry/qc/basis/symmint.cc \
     21        chemistry/qc/basis/tbint.cc \
     22        chemistry/qc/basis/transform.cc
     23
     24LIBSCBASISBUILTHEADERS = \
     25        chemistry/qc/basis/f77sym.h
    326
    427LIBSCBASISHEADERS = \
    5                 basis.h cartiter.h dercent.h distshpair.h extent.h files.h gaussbas.h gaussshell.h gpetite.h integral.h obint.h orthog.h petite.h shellrot.h sobasis.h sointegral.h symmint.h tbint.h transform.h
     28        chemistry/qc/basis/basis.h \
     29        chemistry/qc/basis/cartiter.h \
     30        chemistry/qc/basis/dercent.h \
     31        chemistry/qc/basis/distshpair.h \
     32        chemistry/qc/basis/extent.h \
     33        chemistry/qc/basis/files.h \
     34        chemistry/qc/basis/gaussbas.h \
     35        chemistry/qc/basis/gaussshell.h \
     36        chemistry/qc/basis/gpetite.h \
     37        chemistry/qc/basis/integral.h \
     38        chemistry/qc/basis/obint.h \
     39        chemistry/qc/basis/orthog.h \
     40        chemistry/qc/basis/petite.h \
     41        chemistry/qc/basis/shellrot.h \
     42        chemistry/qc/basis/sobasis.h \
     43        chemistry/qc/basis/sointegral.h \
     44        chemistry/qc/basis/symmint.h \
     45        chemistry/qc/basis/tbint.h \
     46        chemistry/qc/basis/transform.h
     47
    648
    749lib_LTLIBRARIES +=
    … …  
    4385#nodist_libSCbasis_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4486
     87
    4588BASISTESTS = \
    4689        btest
    … …  
    5497        libSCcontainer.la libSCref.la libSCmisc.la
    5598
    56 btest_SOURCES = btest.cc
     99btest_SOURCES = \
     100        chemistry/qc/basis/btest.cc
    57101btest_LDADD = \
    58102        $(BASISLIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/Makefile.am

    r318d5a r23612c  
    11LIBSCCINTSSOURCES = \
    2                 cints.cc comp_eri.cc comp_grt.cc edipole.cc equadrupole.cc eri.cc fjt.cc grt.cc hcore.cc int1e.cc int2e.cc kinetic.cc nuclear.cc obintcints.cc obosrr.cc overlap.cc permute2e.cc primpairs.cc shellpairs.cc storage.cc tbintcints.cc tform.cc
     2        chemistry/qc/cints/cints.cc \
     3        chemistry/qc/cints/comp_eri.cc \
     4        chemistry/qc/cints/comp_grt.cc \
     5        chemistry/qc/cints/edipole.cc \
     6        chemistry/qc/cints/equadrupole.cc \
     7        chemistry/qc/cints/eri.cc \
     8        chemistry/qc/cints/fjt.cc \
     9        chemistry/qc/cints/grt.cc \
     10        chemistry/qc/cints/hcore.cc \
     11        chemistry/qc/cints/int1e.cc \
     12        chemistry/qc/cints/int2e.cc \
     13        chemistry/qc/cints/kinetic.cc \
     14        chemistry/qc/cints/nuclear.cc \
     15        chemistry/qc/cints/obintcints.cc \
     16        chemistry/qc/cints/obosrr.cc \
     17        chemistry/qc/cints/overlap.cc \
     18        chemistry/qc/cints/permute2e.cc \
     19        chemistry/qc/cints/primpairs.cc \
     20        chemistry/qc/cints/shellpairs.cc \
     21        chemistry/qc/cints/storage.cc \
     22        chemistry/qc/cints/tbintcints.cc \
     23        chemistry/qc/cints/tform.cc
     24
    325
    426LIBSCCINTSHEADERS = \
    5                 cartit.h cints.h eri.h eri_quartet_data.h fjt.h grt.h grt_quartet_data.h int1e.h int2e.h linkage.h macros.h obintcints.h primpairs.h shellpairs.h static.h storage.h tbintcints.h tform.h
     27        chemistry/qc/cints/cartit.h \
     28        chemistry/qc/cints/cints.h \
     29        chemistry/qc/cints/eri.h \
     30        chemistry/qc/cints/eri_quartet_data.h \
     31        chemistry/qc/cints/fjt.h \
     32        chemistry/qc/cints/grt.h \
     33        chemistry/qc/cints/grt_quartet_data.h \
     34        chemistry/qc/cints/int1e.h \
     35        chemistry/qc/cints/int2e.h \
     36        chemistry/qc/cints/linkage.h \
     37        chemistry/qc/cints/macros.h \
     38        chemistry/qc/cints/obintcints.h \
     39        chemistry/qc/cints/primpairs.h \
     40        chemistry/qc/cints/shellpairs.h \
     41        chemistry/qc/cints/static.h \
     42        chemistry/qc/cints/storage.h \
     43        chemistry/qc/cints/tbintcints.h \
     44        chemistry/qc/cints/tform.h
     45
    646
    747lib_LTLIBRARIES +=
    … …  
    4383#nodist_libSCcints_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4484
     85
    4586CINTSTESTS = \
    4687        cintstest
    … …  
    5495        libSCcontainer.la libSCref.la libSCmisc.la
    5596
    56 cintstest_SOURCES = cintstest.cc
     97cintstest_SOURCES = \
     98        chemistry/qc/cints/cintstest.cc
    5799cintstest_LDADD = \
    58100        $(CINTSLIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/Makefile.am

    r318d5a r23612c  
    11LIBSCDFTSOURCES = \
    2                 clks.cc functional.cc hsosks.cc integrator.cc tmplinst.cc uks.cc
     2        chemistry/qc/dft/clks.cc \
     3        chemistry/qc/dft/functional.cc \
     4        chemistry/qc/dft/hsosks.cc \
     5        chemistry/qc/dft/integrator.cc \
     6        chemistry/qc/dft/tmplinst.cc \
     7        chemistry/qc/dft/uks.cc
     8
    39
    410LIBSCDFTHEADERS = \
    5                 clks.h clkstmpl.h functional.h hsosks.h hsoskstmpl.h integrator.h linkage.h uks.h ukstmpl.h
     11        chemistry/qc/dft/clks.h \
     12        chemistry/qc/dft/clkstmpl.h \
     13        chemistry/qc/dft/functional.h \
     14        chemistry/qc/dft/hsosks.h \
     15        chemistry/qc/dft/hsoskstmpl.h \
     16        chemistry/qc/dft/integrator.h \
     17        chemistry/qc/dft/linkage.h \
     18        chemistry/qc/dft/uks.h \
     19        chemistry/qc/dft/ukstmpl.h
     20
    621
    722lib_LTLIBRARIES +=
    … …  
    4358#nodist_libSCdft_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4459
     60
    4561DFTTESTS = \
    4662        dfttest \
    … …  
    5571        libSCcontainer.la libSCref.la libSCmisc.la
    5672
    57 dfttest_SOURCES = dfttest.cc
     73dfttest_SOURCES = \
     74        chemistry/qc/dft/dfttest.cc
    5875dfttest_LDADD = \
    5976        $(DFTLIBS)
    6077
    61 lebedev_SOURCES = lebedev.cc
     78lebedev_SOURCES = \
     79        chemistry/qc/dft/lebedev.cc
    6280lebedev_LDADD = \
    6381        $(DFTLIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/Makefile.am

    r318d5a r23612c  
    11LIBSCINTCCASOURCES = \
    2                 int1e.cc int2e.cc intcca.cc obintcca.cc tbintcca.cc
     2        chemistry/qc/intcca/int1e.cc \
     3        chemistry/qc/intcca/int2e.cc \
     4        chemistry/qc/intcca/intcca.cc \
     5        chemistry/qc/intcca/obintcca.cc \
     6        chemistry/qc/intcca/tbintcca.cc
     7
    38
    49LIBSCINTCCAHEADERS = \
    5                 cartit.h int1e.h int2e.h intcca.h LIBS.h linkage.h macros.h obintcca.h tbintcca.h tform.h
     10        chemistry/qc/intcca/cartit.h \
     11        chemistry/qc/intcca/int1e.h \
     12        chemistry/qc/intcca/int2e.h \
     13        chemistry/qc/intcca/intcca.h \
     14        chemistry/qc/intcca/LIBS.h \
     15        chemistry/qc/intcca/linkage.h \
     16        chemistry/qc/intcca/macros.h \
     17        chemistry/qc/intcca/obintcca.h \
     18        chemistry/qc/intcca/tbintcca.h \
     19        chemistry/qc/intcca/tform.h
     20
    621
    722lib_LTLIBRARIES +=
    … …  
    4358#nodist_libSCintcca_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4459
     60

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/Makefile.am

    r318d5a r23612c  
    11LIBSCINTV3SOURCES = \
    2                 array.cc atominfo.cc bounds.cc build2e.cc comp1e.cc comp2e3c.cc comp2e.cc fjt.cc init2e.cc int1e.cc int2e.cc intv3.cc obintv3.cc offsets.cc print2e.cc shift2e.cc storage.cc store.cc tbintv3.cc tformv3.cc
     2        chemistry/qc/intv3/array.cc \
     3        chemistry/qc/intv3/atominfo.cc \
     4        chemistry/qc/intv3/bounds.cc \
     5        chemistry/qc/intv3/build2e.cc \
     6        chemistry/qc/intv3/comp1e.cc \
     7        chemistry/qc/intv3/comp2e3c.cc \
     8        chemistry/qc/intv3/comp2e.cc \
     9        chemistry/qc/intv3/fjt.cc \
     10        chemistry/qc/intv3/init2e.cc \
     11        chemistry/qc/intv3/int1e.cc \
     12        chemistry/qc/intv3/int2e.cc \
     13        chemistry/qc/intv3/intv3.cc \
     14        chemistry/qc/intv3/obintv3.cc \
     15        chemistry/qc/intv3/offsets.cc \
     16        chemistry/qc/intv3/print2e.cc \
     17        chemistry/qc/intv3/shift2e.cc \
     18        chemistry/qc/intv3/storage.cc \
     19        chemistry/qc/intv3/store.cc \
     20        chemistry/qc/intv3/tbintv3.cc \
     21        chemistry/qc/intv3/tformv3.cc
    322
    423LIBSCINTV3HEADERS = \
    5                 array.h cartitv3.h fjt.h flags.h int1e.h int2e.h intv3.h macros.h obintv3.h storage.h tbintv3.h tformv3.h types.h utils.h
     24        chemistry/qc/intv3/array.h \
     25        chemistry/qc/intv3/cartitv3.h \
     26        chemistry/qc/intv3/fjt.h \
     27        chemistry/qc/intv3/flags.h \
     28        chemistry/qc/intv3/int1e.h \
     29        chemistry/qc/intv3/int2e.h \
     30        chemistry/qc/intv3/intv3.h \
     31        chemistry/qc/intv3/macros.h \
     32        chemistry/qc/intv3/obintv3.h \
     33        chemistry/qc/intv3/storage.h \
     34        chemistry/qc/intv3/tbintv3.h \
     35        chemistry/qc/intv3/tformv3.h \
     36        chemistry/qc/intv3/types.h \
     37        chemistry/qc/intv3/utils.h
     38
    639
    740lib_LTLIBRARIES +=
    … …  
    4376#nodist_libSCintv3_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4477
     78
    4579INTV3TESTS = \
    4680        fjttest \
    … …  
    5589        libSCcontainer.la libSCref.la libSCmisc.la
    5690
    57 fjttest_SOURCES = fjttest.cc
     91fjttest_SOURCES = \
     92        chemistry/qc/intv3/fjttest.cc
    5893fjttest_LDADD = \
    5994        $(INTV3LIBS)
    6095
    61 inttest_SOURCES = inttest.cc
     96inttest_SOURCES = \
     97        chemistry/qc/intv3/inttest.cc
    6298inttest_LDADD = \
    6399        $(INTV3LIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/Makefile.am

    r318d5a r23612c  
    11LIBSCMBPTSOURCES = \
    2                 bzerofast.c cscphf.cc csgmat.cc csgrad34qb.cc csgrad.cc csgrade12.cc csgrads2pdm.cc hsosv1.cc hsosv1e1.cc hsosv2.cc hsosv2lb.cc mbpt.cc mp2extrap.cc util.cc
     2        chemistry/qc/mbpt/bzerofast.c \
     3        chemistry/qc/mbpt/cscphf.cc \
     4        chemistry/qc/mbpt/csgmat.cc \
     5        chemistry/qc/mbpt/csgrad34qb.cc \
     6        chemistry/qc/mbpt/csgrad.cc \
     7        chemistry/qc/mbpt/csgrade12.cc \
     8        chemistry/qc/mbpt/csgrads2pdm.cc \
     9        chemistry/qc/mbpt/hsosv1.cc \
     10        chemistry/qc/mbpt/hsosv1e1.cc \
     11        chemistry/qc/mbpt/hsosv2.cc \
     12        chemistry/qc/mbpt/hsosv2lb.cc \
     13        chemistry/qc/mbpt/mbpt.cc \
     14        chemistry/qc/mbpt/mp2extrap.cc \
     15        chemistry/qc/mbpt/util.cc
     16
    317
    418LIBSCMBPTHEADERS = \
    5                 bzerofast.h csgrad34qb.h csgrade12.h csgrads2pdm.h hsosv1e1.h linkage.h mbpt.h mp2extrap.h util.h
     19        chemistry/qc/mbpt/bzerofast.h \
     20        chemistry/qc/mbpt/csgrad34qb.h \
     21        chemistry/qc/mbpt/csgrade12.h \
     22        chemistry/qc/mbpt/csgrads2pdm.h \
     23        chemistry/qc/mbpt/hsosv1e1.h \
     24        chemistry/qc/mbpt/linkage.h \
     25        chemistry/qc/mbpt/mbpt.h \
     26        chemistry/qc/mbpt/mp2extrap.h \
     27        chemistry/qc/mbpt/util.h
     28
    629
    730lib_LTLIBRARIES +=
    … …  
    4366#nodist_libSCmbpt_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4467
     68
    4569MBPTTESTS = \
    4670        mbpttest
    … …  
    5478        libSCcontainer.la libSCref.la libSCmisc.la
    5579
    56 mbpttest_SOURCES = mbpttest.cc
     80mbpttest_SOURCES = \
     81        chemistry/qc/mbpt/mbpttest.cc
    5782mbpttest_LDADD = \
    5883        $(MBPTLIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/Makefile.am

    r318d5a r23612c  
    11LIBSCMBPTR12SOURCES = \
    2                 compute_a_gebc_abs1.cc compute_a_gebc.cc compute_a_gebc_vbs.cc compute_amps.cc compute_energy_a.cc compute_ijxy.cc compute_ikjy.cc compute_ixjy.cc compute_vxb_a_asymm.cc compute_vxb_a_symm.cc coulomb.cc dualbasis_mp2.cc ebc_contribs.cc exchange.cc fock.cc gbc_contribs.cc mbptr12.cc moindexspace.cc mp2r12_energy.cc multipole_ints.cc pairiter.cc r12_amps.cc r12ia.cc r12ia_memgrp.cc r12ia_mpiiofile.cc r12ia_node0file.cc r12int_eval.cc ri_basis.cc svd.cc transform_123inds.cc transform_12inds.cc transform_13inds.cc transform_factory.cc transform_ijxy.cc transform_ikjy.cc transform_ixjy.cc transform_tbint.cc twobodygrid.cc vxb_eval_info.cc
     2        chemistry/qc/mbptr12/compute_a_gebc_abs1.cc \
     3        chemistry/qc/mbptr12/compute_a_gebc.cc \
     4        chemistry/qc/mbptr12/compute_a_gebc_vbs.cc \
     5        chemistry/qc/mbptr12/compute_amps.cc \
     6        chemistry/qc/mbptr12/compute_energy_a.cc \
     7        chemistry/qc/mbptr12/compute_ijxy.cc \
     8        chemistry/qc/mbptr12/compute_ikjy.cc \
     9        chemistry/qc/mbptr12/compute_ixjy.cc \
     10        chemistry/qc/mbptr12/compute_vxb_a_asymm.cc \
     11        chemistry/qc/mbptr12/compute_vxb_a_symm.cc \
     12        chemistry/qc/mbptr12/coulomb.cc \
     13        chemistry/qc/mbptr12/dualbasis_mp2.cc \
     14        chemistry/qc/mbptr12/ebc_contribs.cc \
     15        chemistry/qc/mbptr12/exchange.cc \
     16        chemistry/qc/mbptr12/fock.cc \
     17        chemistry/qc/mbptr12/gbc_contribs.cc \
     18        chemistry/qc/mbptr12/mbptr12.cc \
     19        chemistry/qc/mbptr12/moindexspace.cc \
     20        chemistry/qc/mbptr12/mp2r12_energy.cc \
     21        chemistry/qc/mbptr12/multipole_ints.cc \
     22        chemistry/qc/mbptr12/pairiter.cc \
     23        chemistry/qc/mbptr12/r12_amps.cc \
     24        chemistry/qc/mbptr12/r12ia.cc \
     25        chemistry/qc/mbptr12/r12ia_memgrp.cc \
     26        chemistry/qc/mbptr12/r12ia_mpiiofile.cc \
     27        chemistry/qc/mbptr12/r12ia_node0file.cc \
     28        chemistry/qc/mbptr12/r12int_eval.cc \
     29        chemistry/qc/mbptr12/ri_basis.cc \
     30        chemistry/qc/mbptr12/svd.cc \
     31        chemistry/qc/mbptr12/transform_123inds.cc \
     32        chemistry/qc/mbptr12/transform_12inds.cc \
     33        chemistry/qc/mbptr12/transform_13inds.cc \
     34        chemistry/qc/mbptr12/transform_factory.cc \
     35        chemistry/qc/mbptr12/transform_ijxy.cc \
     36        chemistry/qc/mbptr12/transform_ikjy.cc \
     37        chemistry/qc/mbptr12/transform_ixjy.cc \
     38        chemistry/qc/mbptr12/transform_tbint.cc \
     39        chemistry/qc/mbptr12/twobodygrid.cc \
     40        chemistry/qc/mbptr12/vxb_eval_info.cc
     41
    342
    443LIBSCMBPTR12HEADERS = \
    5                 blas.h lapack.h linearr12.h linkage.h mbptr12.h moindexspace.h mp2r12_energy.h pairiter.h print_scmat_norms.h r12_amps.h r12ia.h r12ia_memgrp.h r12ia_mpiiofile.h r12ia_node0file.h r12int_eval.h svd.h transform_123inds.h transform_12inds.h transform_13inds.h transform_factory.h transform_ijxy.h transform_ikjy.h transform_ixjy.h transform_tbint.h twobodygrid.h vxb_eval_info.h
     44        chemistry/qc/mbptr12/blas.h \
     45        chemistry/qc/mbptr12/lapack.h \
     46        chemistry/qc/mbptr12/linearr12.h \
     47        chemistry/qc/mbptr12/linkage.h \
     48        chemistry/qc/mbptr12/mbptr12.h \
     49        chemistry/qc/mbptr12/moindexspace.h \
     50        chemistry/qc/mbptr12/mp2r12_energy.h \
     51        chemistry/qc/mbptr12/pairiter.h \
     52        chemistry/qc/mbptr12/print_scmat_norms.h \
     53        chemistry/qc/mbptr12/r12_amps.h \
     54        chemistry/qc/mbptr12/r12ia.h \
     55        chemistry/qc/mbptr12/r12ia_memgrp.h \
     56        chemistry/qc/mbptr12/r12ia_mpiiofile.h \
     57        chemistry/qc/mbptr12/r12ia_node0file.h \
     58        chemistry/qc/mbptr12/r12int_eval.h \
     59        chemistry/qc/mbptr12/svd.h \
     60        chemistry/qc/mbptr12/transform_123inds.h \
     61        chemistry/qc/mbptr12/transform_12inds.h \
     62        chemistry/qc/mbptr12/transform_13inds.h \
     63        chemistry/qc/mbptr12/transform_factory.h \
     64        chemistry/qc/mbptr12/transform_ijxy.h \
     65        chemistry/qc/mbptr12/transform_ikjy.h \
     66        chemistry/qc/mbptr12/transform_ixjy.h \
     67        chemistry/qc/mbptr12/transform_tbint.h \
     68        chemistry/qc/mbptr12/twobodygrid.h \
     69        chemistry/qc/mbptr12/vxb_eval_info.h
     70
    671
    772lib_LTLIBRARIES +=
    … …  
    43108#nodist_libSCmbptr12_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    44109
     110
    45111MBPTR12TESTS = \
    46112        mbptr12test
    … …  
    54120        libSCcontainer.la libSCref.la libSCmisc.la
    55121
    56 mbptr12test_SOURCES = mbptr12test.cc
     122mbptr12test_SOURCES = \
     123        chemistry/qc/mbptr12/mbptr12test.cc
    57124mbptr12test_LDADD = \
    58125        $(MBPTR12LIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/Makefile.am

    r318d5a r23612c  
    11LIBSCOINT3SOURCES = \
    2                 build.cc i0100AB.cc i0100.cc i0101AB.cc i0101.cc i0111AB.cc i0111.cc i0200AB.cc i0200.cc i0201AB.cc i0201.cc i0202AB.cc i0202.cc i0211AB.cc i0211.cc i0212AB.cc i0212.cc i0222AB.cc i0222.cc i0300AB.cc i0300.cc i0301AB.cc i0301.cc i0302AB.cc i0302.cc i0303AB.cc i0303.cc i0311AB.cc i0311.cc i0312AB.cc i0312.cc i0313AB.cc i0313.cc i0322AB.cc i0322.cc i0323AB.cc i0323.cc i0333AB.cc i0333.cc i1100AB.cc i1100.cc i1111AB.cc i1111.cc i1200AB.cc i1200.cc i1201AB.cc i1201.cc i1211AB.cc i1211.cc i1212AB.cc i1212.cc i1222AB.cc i1222.cc i1300AB.cc i1300.cc i1301AB.cc i1301.cc i1302AB.cc i1302.cc i1311AB.cc i1311.cc i1312AB.cc i1312.cc i1313AB.cc i1313.cc i1322AB.cc i1322.cc i1323AB.cc i1323.cc i1333AB.cc i1333.cc i2200AB.cc i2200.cc i2201AB.cc i2201.cc i2211AB.cc i2211.cc i2222AB.cc i2222.cc i2300AB.cc i2300.cc i2301AB.cc i2301.cc i2302AB.cc i2302.cc i2311AB.cc i2311.cc i2312AB.cc i2312.cc i2322AB.cc i2322.cc i2323AB.cc i2323.cc i2333AB.cc i2333.cc i3300AB.cc i3300.cc i3301AB.cc i3301.cc i3302AB.cc i3302.cc i3311AB.cc i3311.cc i3312AB.cc i3312.cc i3322AB.cc i3322.cc i3333AB.cc i3333.cc
     2        chemistry/qc/oint3/build.cc \
     3        chemistry/qc/oint3/i0100AB.cc \
     4        chemistry/qc/oint3/i0100.cc \
     5        chemistry/qc/oint3/i0101AB.cc \
     6        chemistry/qc/oint3/i0101.cc \
     7        chemistry/qc/oint3/i0111AB.cc \
     8        chemistry/qc/oint3/i0111.cc \
     9        chemistry/qc/oint3/i0200AB.cc \
     10        chemistry/qc/oint3/i0200.cc \
     11        chemistry/qc/oint3/i0201AB.cc \
     12        chemistry/qc/oint3/i0201.cc \
     13        chemistry/qc/oint3/i0202AB.cc \
     14        chemistry/qc/oint3/i0202.cc \
     15        chemistry/qc/oint3/i0211AB.cc \
     16        chemistry/qc/oint3/i0211.cc \
     17        chemistry/qc/oint3/i0212AB.cc \
     18        chemistry/qc/oint3/i0212.cc \
     19        chemistry/qc/oint3/i0222AB.cc \
     20        chemistry/qc/oint3/i0222.cc \
     21        chemistry/qc/oint3/i0300AB.cc \
     22        chemistry/qc/oint3/i0300.cc \
     23        chemistry/qc/oint3/i0301AB.cc \
     24        chemistry/qc/oint3/i0301.cc \
     25        chemistry/qc/oint3/i0302AB.cc \
     26        chemistry/qc/oint3/i0302.cc \
     27        chemistry/qc/oint3/i0303AB.cc \
     28        chemistry/qc/oint3/i0303.cc \
     29        chemistry/qc/oint3/i0311AB.cc \
     30        chemistry/qc/oint3/i0311.cc \
     31        chemistry/qc/oint3/i0312AB.cc \
     32        chemistry/qc/oint3/i0312.cc \
     33        chemistry/qc/oint3/i0313AB.cc \
     34        chemistry/qc/oint3/i0313.cc \
     35        chemistry/qc/oint3/i0322AB.cc \
     36        chemistry/qc/oint3/i0322.cc \
     37        chemistry/qc/oint3/i0323AB.cc \
     38        chemistry/qc/oint3/i0323.cc \
     39        chemistry/qc/oint3/i0333AB.cc \
     40        chemistry/qc/oint3/i0333.cc \
     41        chemistry/qc/oint3/i1100AB.cc \
     42        chemistry/qc/oint3/i1100.cc \
     43        chemistry/qc/oint3/i1111AB.cc \
     44        chemistry/qc/oint3/i1111.cc \
     45        chemistry/qc/oint3/i1200AB.cc \
     46        chemistry/qc/oint3/i1200.cc \
     47        chemistry/qc/oint3/i1201AB.cc \
     48        chemistry/qc/oint3/i1201.cc \
     49        chemistry/qc/oint3/i1211AB.cc \
     50        chemistry/qc/oint3/i1211.cc \
     51        chemistry/qc/oint3/i1212AB.cc \
     52        chemistry/qc/oint3/i1212.cc \
     53        chemistry/qc/oint3/i1222AB.cc \
     54        chemistry/qc/oint3/i1222.cc \
     55        chemistry/qc/oint3/i1300AB.cc \
     56        chemistry/qc/oint3/i1300.cc \
     57        chemistry/qc/oint3/i1301AB.cc \
     58        chemistry/qc/oint3/i1301.cc \
     59        chemistry/qc/oint3/i1302AB.cc \
     60        chemistry/qc/oint3/i1302.cc \
     61        chemistry/qc/oint3/i1311AB.cc \
     62        chemistry/qc/oint3/i1311.cc \
     63        chemistry/qc/oint3/i1312AB.cc \
     64        chemistry/qc/oint3/i1312.cc \
     65        chemistry/qc/oint3/i1313AB.cc \
     66        chemistry/qc/oint3/i1313.cc \
     67        chemistry/qc/oint3/i1322AB.cc \
     68        chemistry/qc/oint3/i1322.cc \
     69        chemistry/qc/oint3/i1323AB.cc \
     70        chemistry/qc/oint3/i1323.cc \
     71        chemistry/qc/oint3/i1333AB.cc \
     72        chemistry/qc/oint3/i1333.cc \
     73        chemistry/qc/oint3/i2200AB.cc \
     74        chemistry/qc/oint3/i2200.cc \
     75        chemistry/qc/oint3/i2201AB.cc \
     76        chemistry/qc/oint3/i2201.cc \
     77        chemistry/qc/oint3/i2211AB.cc \
     78        chemistry/qc/oint3/i2211.cc \
     79        chemistry/qc/oint3/i2222AB.cc \
     80        chemistry/qc/oint3/i2222.cc \
     81        chemistry/qc/oint3/i2300AB.cc \
     82        chemistry/qc/oint3/i2300.cc \
     83        chemistry/qc/oint3/i2301AB.cc \
     84        chemistry/qc/oint3/i2301.cc \
     85        chemistry/qc/oint3/i2302AB.cc \
     86        chemistry/qc/oint3/i2302.cc \
     87        chemistry/qc/oint3/i2311AB.cc \
     88        chemistry/qc/oint3/i2311.cc \
     89        chemistry/qc/oint3/i2312AB.cc \
     90        chemistry/qc/oint3/i2312.cc \
     91        chemistry/qc/oint3/i2322AB.cc \
     92        chemistry/qc/oint3/i2322.cc \
     93        chemistry/qc/oint3/i2323AB.cc \
     94        chemistry/qc/oint3/i2323.cc \
     95        chemistry/qc/oint3/i2333AB.cc \
     96        chemistry/qc/oint3/i2333.cc \
     97        chemistry/qc/oint3/i3300AB.cc \
     98        chemistry/qc/oint3/i3300.cc \
     99        chemistry/qc/oint3/i3301AB.cc \
     100        chemistry/qc/oint3/i3301.cc \
     101        chemistry/qc/oint3/i3302AB.cc \
     102        chemistry/qc/oint3/i3302.cc \
     103        chemistry/qc/oint3/i3311AB.cc \
     104        chemistry/qc/oint3/i3311.cc \
     105        chemistry/qc/oint3/i3312AB.cc \
     106        chemistry/qc/oint3/i3312.cc \
     107        chemistry/qc/oint3/i3322AB.cc \
     108        chemistry/qc/oint3/i3322.cc \
     109        chemistry/qc/oint3/i3333AB.cc \
     110        chemistry/qc/oint3/i3333.cc
     111
    3112
    4113LIBSCOINT3HEADERS = \
    5                 build.h LIBS.h
     114        chemistry/qc/oint3/build.h
     115
    6116
    7117lib_LTLIBRARIES +=
    … …  
    43153#nodist_libSCoint3_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    44154
     155

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/Makefile.am

    r318d5a r23612c  
    11LIBSCPSISOURCES = \
    2                 psiexenv.cc psifile11.cc psiinput.cc psiwfn.cc
     2        chemistry/qc/psi/psiexenv.cc \
     3        chemistry/qc/psi/psifile11.cc \
     4        chemistry/qc/psi/psiinput.cc \
     5        chemistry/qc/psi/psiwfn.cc
     6
    37
    48LIBSCPSIHEADERS = \
    5                 linkage.h psiexenv.h psifile11.h psiinput.h psiwfn.h
     9        chemistry/qc/psi/linkage.h \
     10        chemistry/qc/psi/psiexenv.h \
     11        chemistry/qc/psi/psifile11.h \
     12        chemistry/qc/psi/psiinput.h \
     13        chemistry/qc/psi/psiwfn.h
     14
    615
    716lib_LTLIBRARIES +=
    … …  
    4352#nodist_libSCpsi_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4453
     54
    4555PSITESTS = \
    4656        psitest
    … …  
    5464        libSCcontainer.la libSCref.la libSCmisc.la
    5565
    56 psitest_SOURCES = psitest.cc
     66psitest_SOURCES = \
     67        chemistry/qc/psi/psitest.cc
    5768psitest_LDADD = \
    5869        $(PSILIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/Makefile.am

    r318d5a r23612c  
    11LIBSCSCFSOURCES = \
    2                 clhf.cc clscf.cc effh.cc hsoshf.cc hsosscf.cc osshf.cc ossscf.cc scf.cc scfgradient.cc scfops.cc scfvector.cc svd.cc tchf.cc tcscf.cc tmplinst.cc uhf.cc uscf.cc
     2        chemistry/qc/scf/clhf.cc \
     3        chemistry/qc/scf/clscf.cc \
     4        chemistry/qc/scf/effh.cc \
     5        chemistry/qc/scf/hsoshf.cc \
     6        chemistry/qc/scf/hsosscf.cc \
     7        chemistry/qc/scf/osshf.cc \
     8        chemistry/qc/scf/ossscf.cc \
     9        chemistry/qc/scf/scf.cc \
     10        chemistry/qc/scf/scfgradient.cc \
     11        chemistry/qc/scf/scfops.cc \
     12        chemistry/qc/scf/scfvector.cc \
     13        chemistry/qc/scf/svd.cc \
     14        chemistry/qc/scf/tchf.cc \
     15        chemistry/qc/scf/tcscf.cc \
     16        chemistry/qc/scf/tmplinst.cc \
     17        chemistry/qc/scf/uhf.cc \
     18        chemistry/qc/scf/uscf.cc
     19
    320
    421LIBSCSCFHEADERS = \
    5                 clhf.h clhftmpl.h clscf.h effh.h gbuild.h hsoshf.h hsoshftmpl.h hsosscf.h lbgbuild.h lgbuild.h linkage.h ltbgrad.h osshf.h osshftmpl.h ossscf.h scf.h scflocal.h scfops.h tbgrad.h tchf.h tchftmpl.h tcscf.h uhf.h uhftmpl.h uscf.h
     22        chemistry/qc/scf/clhf.h \
     23        chemistry/qc/scf/clhftmpl.h \
     24        chemistry/qc/scf/clscf.h \
     25        chemistry/qc/scf/effh.h \
     26        chemistry/qc/scf/gbuild.h \
     27        chemistry/qc/scf/hsoshf.h \
     28        chemistry/qc/scf/hsoshftmpl.h \
     29        chemistry/qc/scf/hsosscf.h \
     30        chemistry/qc/scf/lbgbuild.h \
     31        chemistry/qc/scf/lgbuild.h \
     32        chemistry/qc/scf/linkage.h \
     33        chemistry/qc/scf/ltbgrad.h \
     34        chemistry/qc/scf/osshf.h \
     35        chemistry/qc/scf/osshftmpl.h \
     36        chemistry/qc/scf/ossscf.h \
     37        chemistry/qc/scf/scf.h \
     38        chemistry/qc/scf/scflocal.h \
     39        chemistry/qc/scf/scfops.h \
     40        chemistry/qc/scf/tbgrad.h \
     41        chemistry/qc/scf/tchf.h \
     42        chemistry/qc/scf/tchftmpl.h \
     43        chemistry/qc/scf/tcscf.h \
     44        chemistry/qc/scf/uhf.h \
     45        chemistry/qc/scf/uhftmpl.h \
     46        chemistry/qc/scf/uscf.h
     47
    648
    749lib_LTLIBRARIES +=
    … …  
    4385#nodist_libSCscf_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4486
     87
    4588SCFTESTS = \
    4689        scftest
    … …  
    5497        libSCcontainer.la libSCref.la libSCmisc.la
    5598
    56 scftest_SOURCES = scftest.cc
     99scftest_SOURCES = \
     100        chemistry/qc/scf/scftest.cc
    57101scftest_LDADD = \
    58102        $(SCFLIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/Makefile.am

    r318d5a r23612c  
    11LIBSCWFNSOURCES = \
    2                 accum.cc density.cc densval.cc eht.cc hcorewfn.cc nao.cc natorbval.cc obwfn.cc orbital.cc solvent.cc wfn.cc
     2        chemistry/qc/wfn/accum.cc \
     3        chemistry/qc/wfn/density.cc \
     4        chemistry/qc/wfn/densval.cc \
     5        chemistry/qc/wfn/eht.cc \
     6        chemistry/qc/wfn/hcorewfn.cc \
     7        chemistry/qc/wfn/nao.cc \
     8        chemistry/qc/wfn/natorbval.cc \
     9        chemistry/qc/wfn/obwfn.cc \
     10        chemistry/qc/wfn/orbital.cc \
     11        chemistry/qc/wfn/solvent.cc \
     12        chemistry/qc/wfn/wfn.cc
     13
    314
    415LIBSCWFNHEADERS = \
    5                 accum.h density.h eht.h linkage.h obwfn.h orbital.h solvent.h wfn.h
     16        chemistry/qc/wfn/accum.h \
     17        chemistry/qc/wfn/density.h \
     18        chemistry/qc/wfn/eht.h \
     19        chemistry/qc/wfn/linkage.h \
     20        chemistry/qc/wfn/obwfn.h \
     21        chemistry/qc/wfn/orbital.h \
     22        chemistry/qc/wfn/solvent.h \
     23        chemistry/qc/wfn/wfn.h
     24
    625
    726lib_LTLIBRARIES +=
    … …  
    4362#nodist_libSCwfn_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4463
     64
    4565WFNTESTS = \
    4666        wfntest
    … …  
    5474        libSCcontainer.la libSCref.la libSCmisc.la
    5575
    56 wfntest_SOURCES = wfntest.cc
     76wfntest_SOURCES = \
     77        chemistry/qc/wfn/wfntest.cc
    5778wfntest_LDADD = \
    5879        $(WFNLIBS)

  • ThirdParty/mpqc_open/src/lib/chemistry/solvent/Makefile.am

    r318d5a r23612c  
    11LIBSCSOLVENTSOURCES = \
    2                 bem.cc disprep.cc
     2        chemistry/solvent/bem.cc \
     3        chemistry/solvent/disprep.cc
     4
    35
    46LIBSCSOLVENTHEADERS = \
    5                 bem.h
     7        chemistry/solvent/bem.h
     8
    69
    710lib_LTLIBRARIES +=
    … …  
    4346#nodist_libSCsolvent_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
    4447
     48
    4549SOLVENTTESTS = \
    4650        bemtest
    … …  
    5458        libSCcontainer.la libSCref.la libSCmisc.la
    5559
    56 bemtest_SOURCES = bemtest.cc
     60bemtest_SOURCES = \
     61        chemistry/solvent/bemtest.cc
    5762bemtest_LDADD = \
    5863        $(SOLVENTLIBS)
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