[00f983] | 1 | LIBSCMOLECULESOURCES = \
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[23612c] | 2 | chemistry/molecule/atominfo.cc \
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| 3 | chemistry/molecule/bend.cc \
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| 4 | chemistry/molecule/cartcoor.cc \
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| 5 | chemistry/molecule/coor.cc \
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| 6 | chemistry/molecule/energy.cc \
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| 7 | chemistry/molecule/fdhess.cc \
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| 8 | chemistry/molecule/formula.cc \
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| 9 | chemistry/molecule/hess.cc \
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| 10 | chemistry/molecule/imcoor.cc \
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| 11 | chemistry/molecule/linip.cc \
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| 12 | chemistry/molecule/linop.cc \
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| 13 | chemistry/molecule/molecule.cc \
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| 14 | chemistry/molecule/molfreq.cc \
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| 15 | chemistry/molecule/molrender.cc \
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| 16 | chemistry/molecule/molshape.cc \
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| 17 | chemistry/molecule/molsymm.cc \
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| 18 | chemistry/molecule/out.cc \
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| 19 | chemistry/molecule/redund.cc \
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| 20 | chemistry/molecule/simple.cc \
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| 21 | chemistry/molecule/stors.cc \
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| 22 | chemistry/molecule/stre.cc \
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| 23 | chemistry/molecule/symmcoor.cc \
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| 24 | chemistry/molecule/taylor.cc \
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| 25 | chemistry/molecule/tors.cc
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| 26 |
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[00f983] | 27 |
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| 28 | LIBSCMOLECULEHEADERS = \
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[23612c] | 29 | chemistry/molecule/atominfo.h \
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| 30 | chemistry/molecule/coor.h \
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| 31 | chemistry/molecule/energy.h \
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| 32 | chemistry/molecule/fdhess.h \
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| 33 | chemistry/molecule/formula.h \
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| 34 | chemistry/molecule/hess.h \
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| 35 | chemistry/molecule/linkage.h \
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| 36 | chemistry/molecule/localdef.h \
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| 37 | chemistry/molecule/molecule.h \
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| 38 | chemistry/molecule/molfreq.h \
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| 39 | chemistry/molecule/molrender.h \
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| 40 | chemistry/molecule/molshape.h \
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| 41 | chemistry/molecule/simple.h \
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| 42 | chemistry/molecule/taylor.h
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| 43 |
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[00f983] | 44 |
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| 45 | lib_LTLIBRARIES +=
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| 46 | noinst_LTLIBRARIES += libSCmolecule.la
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| 47 | libSCmolecule_la_includedir = $(includedir)/chemistry/molecule
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| 48 | libSCmolecule_la_CPPFLAGS = $(AM_CPPFLAGS)
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| 49 | libSCmolecule_la_LDFLAGS = $(AM_LDFLAGS)
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| 50 | libSCmolecule_la_LIBADD =
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| 51 |
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| 52 | nobase_libSCmolecule_la_include_HEADERS = ${LIBSCMOLECULEHEADERS}
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| 53 |
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| 54 | ## Define the source file list for the "libexample-@MPQC_API_VERSION@.la"
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| 55 | ## target. Note that @MPQC_API_VERSION@ is not interpreted by Automake and
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| 56 | ## will therefore be treated as if it were literally part of the target name,
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| 57 | ## and the variable name derived from that.
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| 58 | ## The file extension .cc is recognized by Automake, and makes it produce
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| 59 | ## rules which invoke the C++ compiler to produce a libtool object file (.lo)
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| 60 | ## from each source file. Note that it is not necessary to list header files
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| 61 | ## which are already listed elsewhere in a _HEADERS variable assignment.
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| 62 | libSCmolecule_la_SOURCES = ${LIBSCMOLECULESOURCES}
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| 63 |
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| 64 | ## Instruct libtool to include ABI version information in the generated shared
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| 65 | ## library file (.so). The library ABI version is defined in configure.ac, so
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| 66 | ## that all version information is kept in one place.
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| 67 | #libSCmolecule_la_LDFLAGS += $(AM_LDFLAGS) -version-info $(MPQC_SO_VERSION)
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| 68 |
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| 69 | ## The generated configuration header is installed in its own subdirectory of
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| 70 | ## $(libdir). The reason for this is that the configuration information put
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| 71 | ## into this header file describes the target platform the installed library
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| 72 | ## has been built for. Thus the file must not be installed into a location
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| 73 | ## intended for architecture-independent files, as defined by the Filesystem
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| 74 | ## Hierarchy Standard (FHS).
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| 75 | ## The nodist_ prefix instructs Automake to not generate rules for including
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| 76 | ## the listed files in the distribution on 'make dist'. Files that are listed
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| 77 | ## in _HEADERS variables are normally included in the distribution, but the
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| 78 | ## configuration header file is generated at configure time and should not be
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| 79 | ## shipped with the source tarball.
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| 80 | #libSCmolecule_libincludedir = $(libdir)/chemistry/molecule/include
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| 81 | #nodist_libSCmolecule_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
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| 82 |
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[23612c] | 83 |
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[00f983] | 84 | MOLECULETESTS = \
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| 85 | moltest \
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| 86 | symmetrize
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| 87 |
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[47b463] | 88 | # ?moltest crashes with mpi (also in original implementation)
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| 89 | NONFUNCTIONING_TESTS +=
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| 90 |
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| 91 | # symmetrize needs arguments
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| 92 | XFAIL_TESTS += \
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| 93 | symmetrize
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| 94 |
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| 95 | TESTS += \
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| 96 | moltest \
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| 97 | symmetrize
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[00f983] | 98 | check_PROGRAMS += $(MOLECULETESTS)
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| 99 | noinst_PROGRAMS += $(MOLECULETESTS)
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| 100 |
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| 101 | MOLECULELIBS = \
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[251420] | 102 | libSCmolecule.la libSCisosurf.la libSCoptimize.la libSCsymmetry.la libSCscmat.la libSCgroup.la libSCrender.la libSCmisc.la libSCstate.la libSCkeyval.la libSCclass.la libSCcontainer.la libSCref.la
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[00f983] | 103 |
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[23612c] | 104 | moltest_SOURCES = \
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| 105 | chemistry/molecule/moltest.cc
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[72461c] | 106 | moltest_CPPFLAGS = $(AM_CPPFLAGS) -DSRCDIR=\"$(srcdir)/chemistry/molecule\"
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[00f983] | 107 | moltest_LDADD = \
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| 108 | $(MOLECULELIBS)
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| 109 |
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[23612c] | 110 | symmetrize_SOURCES = \
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| 111 | chemistry/molecule/symmetrize.cc
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[72461c] | 112 | symmetrize_CPPFLAGS = $(AM_CPPFLAGS) -DSRCDIR=\"$(srcdir)/chemistry/molecule\"
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[00f983] | 113 | symmetrize_LDADD = \
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| 114 | $(MOLECULELIBS)
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[72461c] | 115 | EXTRA_DIST += ./chemistry/molecule/moltest.in
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[b7e5b0] | 116 |
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| 117 | DISTCLEANFILES += \
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| 118 | moltest.oogl \
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| 119 | moltest.1.ckpt \
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| 120 | moltest.2.ckpt
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