File: CMakeLists.txt

package info (click to toggle)
rdkit 202503.6-2
  • links: PTS, VCS
  • area: main
  • in suites: sid
  • size: 222,024 kB
  • sloc: cpp: 411,111; python: 78,482; ansic: 26,181; java: 8,285; javascript: 4,404; sql: 2,393; yacc: 1,626; lex: 1,267; cs: 1,090; makefile: 580; xml: 229; fortran: 183; sh: 121
file content (139 lines) | stat: -rw-r--r-- 4,577 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139


if(NOT RDK_USE_BOOST_IOSTREAMS)
    find_package(ZLIB)
    set(STANDALONE_ZLIB_LIBRARY ${ZLIB_LIBRARIES})
    include_directories(${ZLIB_INCLUDE_DIRS})
    add_definitions("-DRDK_USE_STANDALONE_ZLIB")
endif(NOT RDK_USE_BOOST_IOSTREAMS)

if(RDK_BUILD_MAEPARSER_SUPPORT)
    set(MAEPARSER_LIB maeparser)
    set(maesupplier MaeMolSupplier.cpp MaeWriter.cpp)
    if ("${RDK_MAEPARSER_LIBS}" STREQUAL "")
        # if we're not building maeparser as part of the RDKit build), then find
        # the imported package
        find_package(ZLIB QUIET)
        find_package(${MAEPARSER_LIB})
    else()
        # if we built maeparser as part of the RDKit build, then we need to use
        # the headers from the source directory
        include_directories(${maeparser_INCLUDE_DIRS})
    endif()
endif()

if(RDK_BUILD_CHEMDRAW_SUPPORT)
  add_definitions("-DRDK_BUILD_CHEMDRAW_SUPPORT")
endif()

rdkit_library(FileParsers
    CDXMLParser.cpp
    Mol2FileParser.cpp MolFileParser.cpp 
    SCSRMolFileParser.cpp
    MolSGroupParsing.cpp MolSGroupWriting.cpp
    MolFileStereochem.cpp MolFileWriter.cpp
    ForwardSDMolSupplier.cpp SDMolSupplier.cpp SDWriter.cpp
    SmilesMolSupplier.cpp 
    SmilesWriter.cpp
    TDTMolSupplier.cpp 
    TDTWriter.cpp
    TplFileParser.cpp TplFileWriter.cpp
    PDBParser.cpp PDBWriter.cpp 
    CMLWriter.cpp XYZFileWriter.cpp XYZFileParser.cpp
    ${maesupplier}
    ProximityBonds.cpp
    SequenceParsers.cpp SequenceWriters.cpp
    SVGParser.cpp PNGParser.cpp
    MultithreadedMolSupplier.cpp
    MultithreadedSmilesMolSupplier.cpp
    MultithreadedSDMolSupplier.cpp
    LINK_LIBRARIES GenericGroups Depictor SmilesParse ChemTransforms GraphMol SubstructMatch ${MAEPARSER_LIB} ${RDK_CHEMDRAW_LIBS} ${STANDALONE_ZLIB_LIBRARY}
)
if(STANDALONE_ZLIB_LIBRARY)
    target_include_directories(FileParsers PRIVATE ${ZLIB_INCLUDE_DIRS})
endif(STANDALONE_ZLIB_LIBRARY)
target_compile_definitions(FileParsers PRIVATE RDKIT_FILEPARSERS_BUILD)

rdkit_headers(CDXMLParser.h
    FileParsers.h
    FileParserUtils.h
    MolFileStereochem.h
    FileWriters.h
    MolSupplier.h MolSupplier.v1API.h
    MolWriters.h
    SequenceParsers.h SequenceWriters.h
    GeneralFileReader.h
    MultithreadedMolSupplier.h
    MultithreadedSmilesMolSupplier.h
    MultithreadedSDMolSupplier.h
    PNGParser.h
    DEST GraphMol/FileParsers)

rdkit_test(fileParsersTest1 test1.cpp
    LINK_LIBRARIES CIPLabeler FileParsers SubstructMatch)

rdkit_test(testAtropisomers testAtropisomers.cpp
    LINK_LIBRARIES FileParsers SubstructMatch)

rdkit_catch_test(testSquiggleDoubleBonds testSquiggleDoubleBonds.cpp
    LINK_LIBRARIES FileParsers SubstructMatch)

rdkit_test(testMolSupplier testMolSupplier.cpp
    LINK_LIBRARIES FileParsers RDStreams)

rdkit_test(testGeneralFileReader testGeneralFileReader.cpp
    LINK_LIBRARIES FileParsers RDStreams)

if(RDK_TEST_MULTITHREADED)
    rdkit_test(testMultithreadedMolSupplier testMultithreadedMolSupplier.cpp
        LINK_LIBRARIES FileParsers Fingerprints RDStreams)
endif(RDK_TEST_MULTITHREADED)

rdkit_test(testMolWriter testMolWriter.cpp LINK_LIBRARIES CIPLabeler FileParsers)

rdkit_test(testTplParser testTpls.cpp LINK_LIBRARIES FileParsers GraphMol)

rdkit_test(testMol2ToMol testMol2ToMol.cpp LINK_LIBRARIES FileParsers)

rdkit_test(testSequence testSequence.cpp LINK_LIBRARIES FileParsers)

rdkit_test(testExtendedStereoParsing testExtendedStereoParsing.cpp
    LINK_LIBRARIES FileParsers)

rdkit_catch_test(fileParsersCatchTest file_parsers_catch.cpp
    LINK_LIBRARIES FileParsers)

rdkit_catch_test(macromolsCatchTest macromols_catch.cpp
    LINK_LIBRARIES FileParsers)

rdkit_catch_test(testPropertyLists testPropertyLists.cpp
    LINK_LIBRARIES FileParsers)

rdkit_catch_test(XYZFileParserCatchTest XYZFileParserCatchTest.cpp
    LINK_LIBRARIES FileParsers)

rdkit_catch_test(cdxmlParserCatchTest cdxml_parser_catch.cpp
    LINK_LIBRARIES FileParsers)

rdkit_catch_test(molfileStereoCatchTest molfile_stereo_catch.cpp
    LINK_LIBRARIES FileParsers CIPLabeler Subgraphs)

rdkit_catch_test(connectTheDotsTest connectTheDots_catch.cpp
    LINK_LIBRARIES FileParsers)

rdkit_catch_test(v2MolSuppliers v2_suppliers_catch.cpp
    LINK_LIBRARIES FileParsers)

rdkit_catch_test(v2FileParsersCatchTest v2_file_parsers_catch.cpp
    LINK_LIBRARIES FileParsers)

rdkit_catch_test(atropisomersCatch atropisomers_catch.cpp
    LINK_LIBRARIES FileParsers)



if(RDK_TEST_MULTITHREADED AND RDK_BUILD_THREADSAFE_SSS)
rdkit_catch_test(multithreadedSupplierCatchTest multithreaded_supplier_catch.cpp
    LINK_LIBRARIES FileParsers)
endif()