Hi Gianluca,
the README ("After building the RDKit, carry out the following steps"
section) briefly explains what needs to be done to install the cartridge
and get the PgSQL test to work. The user which will be running the test
needs to have administrator privileges on PostgresSQL as it will need to
create a new database, load the cartridge and modify some settings.
Actually all of these requirements were already there before
implementing the CMake-integrated PgSQL build: one needed to be root to
stop the service, install the cartridge, restart the service, and then
PostgreSQL administrator rights were needed to run the tests. The only
difference is that now the test is part of the ctest suite rather than
being separate.
Ciao,
p.
On 08/06/16 12:00, Gianluca Sforna wrote:
> Thanks for the patch Paolo.
>
> Is test 97 new? It seems it wants to use the Postgres server and
> fails, I am afraid it is not easy to have it working at build time.
>
> On Fri, Aug 5, 2016 at 11:45 AM, Gianluca Sforna <[email protected]> wrote:
>> Anyone ever tested this combo?
>>
>> I am currently getting:
>>
>> /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Werror=format-security
>> -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong
>> --param=ssp-buffer-size=4 -grecord-gcc-switches
>> -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -m64 -mtune=generic
>> -mpopcnt -Wno-deprecated -Wno-unused-function -fno-strict-aliasing
>> -fPIC -Wall -Wextra -O2 -g -DNDEBUG -Wl,-z,relro
>> -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -shared
>> -Wl,-soname,librdkit.so -o librdkit.so
>> CMakeFiles/rdkit.dir/adapter.cpp.o CMakeFiles/rdkit.dir/bfp_op.c.o
>> CMakeFiles/rdkit.dir/cache.c.o CMakeFiles/rdkit.dir/guc.c.o
>> CMakeFiles/rdkit.dir/low_gist.c.o CMakeFiles/rdkit.dir/mol_op.c.o
>> CMakeFiles/rdkit.dir/rdkit_gist.c.o CMakeFiles/rdkit.dir/rdkit_io.c.o
>> CMakeFiles/rdkit.dir/rxn_op.c.o CMakeFiles/rdkit.dir/sfp_op.c.o
>> -Llib64 -lpq ../../../lib/libRDInchiLib.so.1.2016.03.2 -lInchi
>> ../../../lib/libMolHash.so.1.2016.03.2
>> ../../../lib/libFMCS.so.1.2016.03.2
>> ../../../lib/libChemReactions.so.1.2016.03.2
>> ../../../lib/libChemTransforms.so.1.2016.03.2
>> ../../../lib/libFingerprints.so.1.2016.03.2
>> ../../../lib/libDescriptors.so.1.2016.03.2
>> ../../../lib/libPartialCharges.so.1.2016.03.2
>> ../../../lib/libSubstructMatch.so.1.2016.03.2
>> ../../../lib/libDepictor.so.1.2016.03.2 -lboost_thread -lboost_system
>> -lpthread -linchi ../../../lib/libFileParsers.so.1.2016.03.2
>> ../../../lib/libSmilesParse.so.1.2016.03.2
>> ../../../lib/libSubgraphs.so.1.2016.03.2
>> ../../../lib/libGraphMol.so.1.2016.03.2
>> ../../../lib/libRDGeometryLib.so.1.2016.03.2
>> ../../../lib/libDataStructs.so.1.2016.03.2
>> ../../../lib/libRDGeneral.so.1.2016.03.2 -lboost_thread -lboost_system
>> -lpthread
>> -Wl,-rpath,lib64:/builddir/build/BUILD/rdkit-Release_2016_03_2/python2/lib
>> /usr/bin/ld: cannot find -lInchi
>>
>> as it seems the CMakeFile is hardcoding the "Inchi" name as library to
>> search for
>>
>> Maybe it should be using the "FindInchi" macro and avoid putting the
>> explicit name there?
>>
>> Not sure how to patch it.
>>
>> --
>> Gianluca Sforna
>>
>> http://plus.google.com/+gianlucasforna - http://twitter.com/giallu
>> Tinker Garage - http://tinkergarage.it
>
>
------------------------------------------------------------------------------
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
