mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
179 lines
5.6 KiB
Makefile
Executable File
179 lines
5.6 KiB
Makefile
Executable File
CXX=g++
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CXXOPTFLAGS=$(RDOPTFLAGS)
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CXXDEBUGFLAGS=-g
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#CXXOPTFLAGS=-g -DVERBOSE_CANON -DVERYVERBOSE_CANON
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BASECXXFLAGS=$(CXXOPTFLAGS) $(BOOSTINC) $(RDKITINCFLAGS) $(VFLIBINC)
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DEBUGCXXFLAGS=$(CXXDEBUGFLAGS) $(BOOSTINC) $(RDKITINCFLAGS) $(VFLIBINC)
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SOFLAGS=-fPIC -shared -rdynamic
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SOFLAGS=-fPIC -shared
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# -----------
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# Python
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# -----------
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PYTHONINC=-I$(PYTHON_ROOT)/include/python$(PYTHON_VERSION)
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# -----------
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# Boost
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# -----------
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BOOSTINC=-I/usr/local/include/$(BOOSTBASE)
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BOOSTLOGLIB=-lboost_log-gcc-s -lboost_thread-gcc-mt
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BOOSTLOGLIB_S=-lboost_log-gcc-s -lboost_thread-gcc-mt
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#BOOSTINC=-I/home2/glandrum/boost_gcc34/include/$(BOOSTBASE)
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#BOOSTLOGLIB=-L/home2/glandrum/boost_gcc34/lib -lboost_log-gcc-s -lboost_thread-gcc-mt-s
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#BOOSTLOGLIB_S=-L/home2/glandrum/boost_gcc34/lib -lboost_log-gcc-s -lboost_thread-gcc-mt-s
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#BOOSTINC=-I$(RDBASE)/External/boost/include/$(BOOSTBASE)
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#BOOSTLOGLIB_S=-L/c/boost/lib/ -lboost_log-mgw-s-$(BOOSTVERSION)
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# -----------
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# Xerces
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# -----------
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XERCESLOC=$(RDBASE)/External/xerces-c
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XERCESINC=-I$(XERCESLOC)/include
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#XERCESLIB=-L$(XERCESLOC)/lib -lxerces-c1_5_2 -lpthread
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XERCESLIB=-L$(XERCESLOC)/lib -lxerces-c1_5_2
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# -----------
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# vflib
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# -----------
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VFLIBLOC=$(RDBASE)/External/vflib-2.0
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VFLIBINC=-I$(VFLIBLOC)/include
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VFLIB=-L$(VFLIBLOC)/lib -lvf
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# -----------
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# Lapack++
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# -----------
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LAPACKLOC=$(RDBASE)/External/Lapack++
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LAPACKINC=-I$(LAPACKLOC)/include
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ifdef RDF77LIB
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F77LIB=-l$(RDF77LIB)
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else
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F77LIB=
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endif
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LAPACKLIB=-L$(LAPACKLOC) -llapack++ -llamatrix++ -lblas++ -llapack -lblas -lm $(F77LIB)
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# -----------
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# Our stuff
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# -----------
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RDCODEDIR=$(RDBASE)/Code
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RDLIBDIR=$(RDCODEDIR)/GraphMol/libs
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RDGENERAL=-L$(RDCODEDIR)/RDGeneral -lRDGeneral $(BOOSTLOGLIB_S)
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RDGENERAL_S=-L$(RDCODEDIR)/RDGeneral -lRDGeneral_s $(BOOSTLOGLIB_S)
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RDGEOMETRY=-L$(RDCODEDIR)/Geometry -lRDGeometry
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RDGEOMETRY_S=-L$(RDCODEDIR)/Geometry -lRDGeometry_s
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GRAPHLIBBASE=GraphMol
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RDGRAPHLIB=$(RDLIBDIR)/lib$(GRAPHLIBBASE).so
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RDGRAPHLIB_S=$(RDLIBDIR)/lib$(GRAPHLIBBASE)_s.a
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RDQUERY=-L$(RDCODEDIR)/Query -lQuery
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RDBITVECS=-L$(RDCODEDIR)/DataStructs -lDataStructs
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RDCHEMFEATS=-L$(RDCODEDIR)/ChemicalFeatures -lChemicalFeatures
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RDKIT=-L$(RDLIBDIR) -l$(GRAPHLIBBASE) $(RDBITVECS) $(LAPACKLIB)
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RDKIT_S=-L$(RDLIBDIR) -l$(GRAPHLIBBASE)_s $(RDBITVECS) $(LAPACKLIB)
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RDKITINCFLAGS=-I$(RDBASE)/Code/GraphMol -I$(RDBASE)/Code
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SMILESLIBBASE=SmilesParse
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RDSMILESLIB=$(RDLIBDIR)/lib$(SMILESLIBBASE).so
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RDSMILESLIB_S=$(RDLIBDIR)/lib$(SMILESLIBBASE)_s.a
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RDSMILES=-L$(RDLIBDIR) -l$(SMILESLIBBASE)
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RDSMILES_S=-L$(RDLIBDIR) -l$(SMILESLIBBASE)_s
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CDXMLLIBBASE=CDXMLParse
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RDCDXMLLIB=$(RDLIBDIR)/lib$(CDXMLLIBBASE).so
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RDCDXML=-L$(RDLIBDIR) -l$(CDXMLLIBBASE)
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SUBSTRUCTLIBBASE=Substruct
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RDSUBSTRUCTLIB=$(RDLIBDIR)/lib$(SUBSTRUCTLIBBASE).so
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RDSUBSTRUCTLIB_S=$(RDLIBDIR)/lib$(SUBSTRUCTLIBBASE)_s.a
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RDSUBSTRUCT=-L$(RDLIBDIR) -l$(SUBSTRUCTLIBBASE)
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RDSUBSTRUCT_S=-L$(RDLIBDIR) -l$(SUBSTRUCTLIBBASE)_s
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CATALOGLIBBASE=Catalogs
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RDCATALOGLIB=$(RDCODEDIR)/Catalogs/lib$(CATALOGLIBBASE).a
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RDCATALOGS=-L$(RDCODEDIR)/Catalogs -l$(CATALOGLIBBASE)
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FRAGCATLIBBASE=FragCat
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RDFRAGCATLIB=$(RDLIBDIR)/lib$(FRAGCATLIBBASE).so
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RDFRAGCAT=-L$(RDLIBDIR) -l$(FRAGCATLIBBASE)
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RDFRAGCATLIB_S=$(RDLIBDIR)/lib$(FRAGCATLIBBASE)_s.a
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RDFRAGCAT_S=-L$(RDLIBDIR) -l$(FRAGCATLIBBASE)_s
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DEPICTORLIBBASE=Depictor
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RDDEPICTORLIB=$(RDLIBDIR)/lib$(DEPICTORLIBBASE).so
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RDDEPICTOR=-L$(RDLIBDIR) -l$(DEPICTORLIBBASE)
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RDDEPICTORLIB_S=$(RDLIBDIR)/lib$(DEPICTORLIBBASE)_s.a
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RDDEPICTOR_S=-L$(RDLIBDIR) -l$(DEPICTORLIBBASE)_s
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FILEPARSELIBBASE=FileParsers
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RDFILEPARSELIB=$(RDLIBDIR)/lib$(FILEPARSELIBBASE).so
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RDFILEPARSELIB_S=$(RDLIBDIR)/lib$(FILEPARSELIBBASE)_s.a
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RDFILEPARSE=-L$(RDLIBDIR) -l$(FILEPARSELIBBASE)
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RDFILEPARSE_S=-L$(RDLIBDIR) -l$(FILEPARSELIBBASE)_s
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MOLTRANSFORMSBASE=MolTransforms
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RDMOLTRANSFORMSLIB=$(RDLIBDIR)/lib$(MOLTRANSFORMSBASE).so
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RDMOLTRANSFORMS=-L$(RDBASE)/Code/GraphMol/MolTransforms -l$(MOLTRANSFORMSBASE)
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SUBGRAPHSBASE=Subgraphs
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RDSUBGRAPHSLIB=$(RDLIBDIR)/lib$(SUBGRAPHSBASE).so
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RDSUBGRAPHSLIB_S=$(RDLIBDIR)/lib$(SUBGRAPHSBASE)_s.a
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RDSUBGRAPHS=-L$(RDLIBDIR) -l$(SUBGRAPHSBASE)
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RDSUBGRAPHS_S=-L$(RDLIBDIR) -l$(SUBGRAPHSBASE)_s
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FINGERPRINTSBASE=Fingerprints
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RDFINGERPRINTSLIB=$(RDLIBDIR)/lib$(FINGERPRINTSBASE).so
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RDFINGERPRINTSLIB_S=$(RDLIBDIR)/lib$(FINGERPRINTSBASE)_s.a
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RDFINGERPRINTS=-L$(RDLIBDIR) -l$(FINGERPRINTSBASE)
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RDFINGERPRINTS_S=-L$(RDLIBDIR) -l$(FINGERPRINTSBASE)_s
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DEPICTORBASE=Depictor
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RDDEPICTORLIB=$(RDLIBDIR)/lib$(DEPICTORBASE).so
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RDDEPICTOR=-L$(RDLIBDIR) -l$(DEPICTORBASE)
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CHEMTRANSFORMSBASE=ChemTransforms
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RDCHEMTRANSFORMSLIB=$(RDLIBDIR)/lib$(CHEMTRANSFORMSBASE).so
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RDCHEMTRANSFORMS=-L$(RDLIBDIR) -l$(CHEMTRANSFORMSBASE)
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PYTHONWRAP=$(RDBASE)/Python/Chem/rdmol.so
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OPTIMIZERBASE=Optimizer
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RDOPTIMIZER=-L$(RDBASE)/Code/Numerics/Optimizer -l$(OPTIMIZERBASE)
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FORCEFIELDBASE=ForceFields
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RDFORCEFIELDS=-L$(RDBASE)/Code/ForceField -l$(FORCEFIELDBASE)
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FORCEFIELDHELPERSBASE=ForceFieldHelpers
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RDFORCEFIELDHELPERS=-L$(RDBASE)/Code/GraphMol/ForceFieldHelpers -l$(FORCEFIELDHELPERSBASE)
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DISTGEOMBASE=DistGeom
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RDDISTGEOM=-L$(RDBASE)/Code/DistGeom -l$(DISTGEOMBASE)
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FEATTREESBASE=FeatTrees
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RDFEATTREES=-L$(RDBASE)/Code/FeatTrees -l$(FEATTREESBASE)
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EIGENSOLVERSBASE=EigenSolvers
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RDEIGENSOLVERS=-L$(RDBASE)/Code/Numerics/EigenSolvers -l$(EIGENSOLVERSBASE)
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ALIGNMENTBASE=Alignment
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RDALIGNMENT=-L$(RDBASE)/Code/Numerics/Alignment -l$(ALIGNMENTBASE)
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DGEOMHELPERSBASE=DistGeomHelpers
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RDDGEOMHELPERS=-L$(RDBASE)/Code/GraphMol/DistGeomHelpers -l$(DGEOMHELPERSBASE)
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SHAPEHELPERSBASE=ShapeHelpers
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RDSHAPEHELEPRS=-L$(RDBASE)/Code/GraphMol/ShapeHelpers -l$(SHAPEHELPERSBASE)
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MOLALIGNBASE=MolAlign
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RDMOLALIGN=-L$(RDBASE)/Code/GraphMol/MolAlign -l$(MOLALIGNBASE)
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MOLDESCRIPTORSBASE=Descriptors
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RDMOLDESCRIPTORS=-L$(RDBASE)/Code/GraphMol/Descriptors -l$(MOLDESCRIPTORSBASE)
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