Hi Hans,

On Tue, Mar 20, 2012 at 11:53 PM, Hans De Winter <hansdewin...@skynet.be> wrote:
>
> 1) I'm working on a Mac OS X 10.7 and I just installed (with the invaluable
> help Eddie Cao) RDKIT using HomeBrew. Installation is OK and the Python
> bindings work.

Excellent.

> 2) I installed PostgreSQL 9.1.3, also with HomeBrew. Installation seems to
> be OK as the creation of a DB works, just like starting the SQL-interpreter.

Glad that's also easy.

> 3) Now I want to build the PostgreSQL cartridge to RDKIT:
>
> Environment variables:
>
>> echo $BOOSTHOME
> /usr/local/Cellar/boost/1.49.0
>> echo $RDBASE
> /usr/local/share/RDKit
>> echo $LD_LIBRARY_PATH
> /usr/local/share/RDKit/lib:
>> echo $DYLD_LIBRARY_PATH
> /usr/local/share/RDKit/lib:
>
> Installation:
>
>> cd /usr/local/share/RDKit/Code/PgSQL/rdkit
>> ls
> ./ adapter.cpp expected/ rdkit.control rdkit_gist.c sql/
> ../ bfp_op.c guc.c rdkit.h rdkit_io.c uninstall_rdkit.sql
> Makefile cache.c low_gist.c rdkit.sql.in rdkit_op.c
> README data/ mol_op.c rdkit.sql91.in sfp_op.c
>> make
> p rdkit.sql91.in rdkit--3.1.sql
> /usr/bin/llvm-gcc -I/usr/local/Cellar/boost/1.49.0
> -I/usr/local/share/RDKit/Code -DRDKITVER='"004000"'  -I. -I.
> -I/usr/local/Cellar/postgresql/9.1.3/include/server
> -I/usr/local/Cellar/postgresql/9.1.3/include/internal
> -I/usr/local/Cellar/readline/6.2.2/include -I/usr/include/libxml2
> -I/usr/include/libxml2  -fPIC -c -o rdkit_io.o rdkit_io.c
> /usr/bin/llvm-gcc -I/usr/local/Cellar/boost/1.49.0
> -I/usr/local/share/RDKit/Code -DRDKITVER='"004000"'  -I. -I.
> -I/usr/local/Cellar/postgresql/9.1.3/include/server
> -I/usr/local/Cellar/postgresql/9.1.3/include/internal
> -I/usr/local/Cellar/readline/6.2.2/include -I/usr/include/libxml2
> -I/usr/include/libxml2  -fPIC -c -o mol_op.o mol_op.c
> /usr/bin/llvm-gcc -I/usr/local/Cellar/boost/1.49.0
> -I/usr/local/share/RDKit/Code -DRDKITVER='"004000"'  -I. -I.
> -I/usr/local/Cellar/postgresql/9.1.3/include/server
> -I/usr/local/Cellar/postgresql/9.1.3/include/internal
> -I/usr/local/Cellar/readline/6.2.2/include -I/usr/include/libxml2
> -I/usr/include/libxml2  -fPIC -c -o bfp_op.o bfp_op.c
> /usr/bin/llvm-gcc -I/usr/local/Cellar/boost/1.49.0
> -I/usr/local/share/RDKit/Code -DRDKITVER='"004000"'  -I. -I.
> -I/usr/local/Cellar/postgresql/9.1.3/include/server
> -I/usr/local/Cellar/postgresql/9.1.3/include/internal
> -I/usr/local/Cellar/readline/6.2.2/include -I/usr/include/libxml2
> -I/usr/include/libxml2  -fPIC -c -o sfp_op.o sfp_op.c
> /usr/bin/llvm-gcc -I/usr/local/Cellar/boost/1.49.0
> -I/usr/local/share/RDKit/Code -DRDKITVER='"004000"'  -I. -I.
> -I/usr/local/Cellar/postgresql/9.1.3/include/server
> -I/usr/local/Cellar/postgresql/9.1.3/include/internal
> -I/usr/local/Cellar/readline/6.2.2/include -I/usr/include/libxml2
> -I/usr/include/libxml2  -fPIC -c -o rdkit_gist.o rdkit_gist.c
> /usr/bin/llvm-gcc -I/usr/local/Cellar/boost/1.49.0
> -I/usr/local/share/RDKit/Code -DRDKITVER='"004000"'  -I. -I.
> -I/usr/local/Cellar/postgresql/9.1.3/include/server
> -I/usr/local/Cellar/postgresql/9.1.3/include/internal
> -I/usr/local/Cellar/readline/6.2.2/include -I/usr/include/libxml2
> -I/usr/include/libxml2  -fPIC -c -o low_gist.o low_gist.c
> /usr/bin/llvm-gcc -I/usr/local/Cellar/boost/1.49.0
> -I/usr/local/share/RDKit/Code -DRDKITVER='"004000"'  -I. -I.
> -I/usr/local/Cellar/postgresql/9.1.3/include/server
> -I/usr/local/Cellar/postgresql/9.1.3/include/internal
> -I/usr/local/Cellar/readline/6.2.2/include -I/usr/include/libxml2
> -I/usr/include/libxml2  -fPIC -c -o guc.o guc.c
> /usr/bin/llvm-gcc -I/usr/local/Cellar/boost/1.49.0
> -I/usr/local/share/RDKit/Code -DRDKITVER='"004000"'  -I. -I.
> -I/usr/local/Cellar/postgresql/9.1.3/include/server
> -I/usr/local/Cellar/postgresql/9.1.3/include/internal
> -I/usr/local/Cellar/readline/6.2.2/include -I/usr/include/libxml2
> -I/usr/include/libxml2  -fPIC -c -o cache.o cache.c
> llvm-g++ -Os -w -pipe -march=core2 -msse4
> -I/usr/local/Cellar/ossp-uuid/1.6.2/include -Wall -Wpointer-arith
> -Wendif-labels -Wformat-security -fno-strict-aliasing -fwrapv
> -Wno-deprecated -Wno-unused-function -I/usr/local/Cellar/boost/1.49.0
> -I/usr/local/share/RDKit/Code -DRDKITVER='"004000"'
>  -I/usr/local/Cellar/boost/1.49.0 -I/usr/local/share/RDKit/Code
> -DRDKITVER='"004000"'  -I. -I.
> -I/usr/local/Cellar/postgresql/9.1.3/include/server
> -I/usr/local/Cellar/postgresql/9.1.3/include/internal
> -I/usr/local/Cellar/readline/6.2.2/include -I/usr/include/libxml2
> -I/usr/include/libxml2   -c -o adapter.o adapter.cpp
> llvm-g++ -Os -w -pipe -march=core2 -msse4
> -I/usr/local/Cellar/ossp-uuid/1.6.2/include -Wall -Wmissing-prototypes
> -Wpointer-arith -Wdeclaration-after-statement -Wendif-labels
> -Wformat-security -fno-strict-aliasing -fwrapv  -bundle -multiply_defined
> suppress -o rdkit.so rdkit_io.o mol_op.o bfp_op.o sfp_op.o rdkit_gist.o
> low_gist.o guc.o cache.o adapter.o -L/usr/local/Cellar/postgresql/9.1.3/lib
> -L/usr/local/Cellar/readline/6.2.2/lib
> -L/usr/local/Cellar/ossp-uuid/1.6.2/lib  -Wl,-dead_strip_dylibs
> -L/usr/local/share/RDKit/lib -lFileParsers_static -lSmilesParse_static
> -lFingerprints_static -lSubgraphs_static -lSubstructMatch_static
> -lDescriptors_static -lPartialCharges_static -lGraphMol_static
> -lDataStructs_static -lRDGeometryLib_static -lRDGeneral_static
> -bundle_loader /usr/local/Cellar/postgresql/9.1.3/bin/postgres
> ld: library not found for -lFileParsers_static
> collect2: ld returned 1 exit status
> make: *** [rdkit.so] Error 1
>
> Any advice on the cause of this latter load error? Are the
> 'FileParsers_static' ever build when installing through HomeBrew?

They are not (to make the builds go faster). But it's easy to work
around. If you edit /usr/local/share/RDKit/Code/PgSQL/rdkit/Makefile
and change STATIC_LINK=1 to STATIC_LINK=0 on line 3, the build and
link should work.

Best,
-greg

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