Dear Adrian,

On Sat, Jul 3, 2010 at 2:00 PM, Adrian Schreyer <m...@adrianschreyer.eu> wrote:
>
> I tried to install the cartridge today but I haven't been successful
> yet. After downloading and compiling the PostgreSQL 8.4.4 source I ran
> "make" in the contrib/rdkit directory, and this is the error I got:
>
> gcc -O2 -Wall -Wpointer-arith -Wendif-labels -fno-strict-aliasing
> -fwrapv -fpic -Wno-deprecated -Wno-unused-function
> -I/usr/local/src/boost_1_43_0 -I/home/adrian/Software/RDKit/Code
> -DRDKITVER='"001900"'  -I. -I../../src/include -D_GNU_SOURCE   -c -o
> adapter.o adapter.cpp
> adapter.cpp: In function ‘void* makeMorganBFP(void*, int)’:
> adapter.cpp:732: error: ‘getFingerprintAsBitVect’ is not a member of
> ‘RDKit::MorganFingerprints’
> adapter.cpp: In function ‘void* makeAtomPairBFP(void*)’:
> adapter.cpp:811: error: ‘getHashedAtomPairFingerprintAsBitVect’ is not
> a member of ‘RDKit::AtomPairs’
> adapter.cpp: In function ‘void* makeTopologicalTorsionBFP(void*)’:
> adapter.cpp:823: error:
> ‘getHashedTopologicalTorsionFingerprintAsBitVect’ is not a member of
> ‘RDKit::AtomPairs’
> /home/adrian/Software/RDKit/Code/RDGeneral/types.h: At global scope:
> /home/adrian/Software/RDKit/Code/RDGeneral/types.h:49: warning:
> ‘RDKit::MAX_DOUBLE’ defined but not used
> /home/adrian/Software/RDKit/Code/RDGeneral/types.h:50: warning:
> ‘RDKit::EPS_DOUBLE’ defined but not used
> /home/adrian/Software/RDKit/Code/RDGeneral/types.h:52: warning:
> ‘RDKit::MAX_INT’ defined but not used
> /home/adrian/Software/RDKit/Code/RDGeneral/types.h:53: warning:
> ‘RDKit::MAX_LONGINT’ defined but not used
> make: *** [adapter.o] Error 1

The errors look like you aren't building against an svn pull of the
RDKit itself (I just added a note to this effect to the wiki). There
are a couple of additional fingerprinting functions (well, different
forms of the existing fingerprints) that were added at around the same
time as the cartridge code.

Are you building against an earlier version of the RDKit?

> Is there a way to use the files in the postgresql-server-dev-8.4
> package for building the cartridge?

That would be a good thing to test, but I haven't done so yet. It will
certainly require some changes to the cartridge makefile, which
assumes that it's buiding in the postgresql source tree.

-greg

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