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https://github.com/rdkit/rdkit.git
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9cabf87374
remove const specifiers from return values in DataStructs add initial pass at query-query matching for Atoms and Bonds fix and test for sf.net issu 2738320 add Mol.AddRecursiveQuery() method to Mol
88 lines
2.5 KiB
Plaintext
88 lines
2.5 KiB
Plaintext
import os ;
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local BOOSTHOME = [ os.environ BOOSTHOME ] ;
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local RDBASE = [ os.environ RDBASE ] ;
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# make sure all executables end in .exe:
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import type : change-generated-target-suffix ;
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type.change-generated-target-suffix EXE : <target-os>linux : exe ;
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type.change-generated-target-suffix EXE : <target-os>darwin : exe ;
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# Specify the path to the Boost project.
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use-project boost
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: $(BOOSTHOME) ;
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use-project RDKit_Externals
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: $(RDBASE)/External ;
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project RDKit
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: requirements <include>. <threading>multi
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<include>$(BOOSTHOME)
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<toolset>gcc:<cflags>-Wno-unused-function
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<toolset>gcc:<cflags>-Wno-deprecated
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<toolset>darwin:<cflags>-Wno-unused-function
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<toolset>gcc:<cflags>-fno-strict-aliasing
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<toolset>msvc:<define>WIN32
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<include>MISSING
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<address-model>64:<cflags>-fPIC
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# <define>RDK_USELAPACKPP #<- uncomment this to use lapack++
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<target-os>windows:<define>BOOST_NUMERIC_BINDINGS_USE_CLAPACK
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<toolset>msvc:<define>_CRT_SECURE_NO_DEPRECATE
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: default-build release ;
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alias all-libraries : Catalogs DistGeom ForceField DataManip/MetricMatrixCalc DataStructs Geometry Query RDBoost RDGeneral Numerics SimDivPickers ChemicalFeatures GraphMol
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;
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alias all : all-libraries all-wrappers ;
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alias minimal : DistGeom ForceField DataStructs Geometry Query RDGeneral Numerics ChemicalFeatures GraphMol//minimal
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;
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alias all-wrappers : RDBoost/Wrap
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DataStructs/Wrap
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Geometry/Wrap
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ML/Cluster/Murtagh ML/InfoTheory/Wrap ML/Data ML/FeatureSelect/Wrap
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DataManip/MetricMatrixCalc/Wrap
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SimDivPickers/Wrap
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ForceField/Wrap
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DistGeom/Wrap
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Numerics/Alignment/Wrap
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ChemicalFeatures/Wrap
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GraphMol//all-wrappers
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;
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alias nonmol-libraries : Catalogs DistGeom ForceField DataManip/MetricMatrixCalc DataStructs Geometry Query RDBoost RDGeneral Numerics SimDivPickers ChemicalFeatures
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;
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alias nonmol-wrappers : RDBoost/Wrap
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DataStructs/Wrap
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Geometry/Wrap
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ML/Cluster/Murtagh ML/InfoTheory/Wrap ML/Data ML/FeatureSelect/Wrap
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DataManip/MetricMatrixCalc/Wrap
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SimDivPickers/Wrap
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ForceField/Wrap
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DistGeom/Wrap
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Numerics/Alignment/Wrap
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ChemicalFeatures/Wrap
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;
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lib lapack
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:
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: <name>lapack
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<target-os>windows:<file>$(RDBASE)/External/Lapack/win32/LAPACK.lib
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:
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;
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lib blas
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:
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: <name>blas
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<target-os>windows:<file>$(RDBASE)/External/Lapack/win32/BLAS.lib
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:
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;
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# if you want to use Lapack++, use this version:
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#alias lapacklibs : /RDKit_Externals//Lapack++ lapack blas ;
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alias lapacklibs : lapack blas ;
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