No such luck - yet.
I stopped the database.
My Makefile now looks:
# -------------------------
# Variables used and default values:
USE_INCHI=1 # enables InChI functions; requires rdkit built with inchi
support
# USE_AVALON=0 # enables avalon fingerprint; requires rdkit built with
avalon support
USE_POPCOUNT=1 # enables use of the CPU's popcount instruction
# USE_THREADS=0 # links against boost.system; required with non-ancient
boost versions if inchi is enabled or the rdkit is built with threadsafe SSS
# STATIC_LINK=1 # link against the static RDKit libraries
# --------------------
(how on earth did I miss this first time around)
I then:
make clean
make
sudo make install
I switch on the DB here...
make installcheck runs like a charm (9 tests)
createdb testdb
psql testdb
create extension rdkit;
testdb=# select mol_inchi(mol_from_smiles('CC'));
mol_inchi
---------------------
InChI not available
(1 row)
BOOM !!!
-
Jean-Paul Ebejer
Early Stage Researcher
On 12 February 2015 at 15:52, Riccardo Vianello <[email protected]
> wrote:
> Hi Jean-Paul,
>
>
> On Thu, Feb 12, 2015 at 3:37 PM, JP <[email protected]> wrote:
>
>> cd $RDBASE/Code/PgSQL/rdkit
>> make clean
>> make
>> sudo make install # in order to get this to work I had to change the this
>> line in the Makefile PG_CONFIG = /opt/postgresql-9.3.4/bin/pg_config
>> make installcheck # before this I restart postgresql
>>
>
> just a guess, but maybe in the above you need to edit the Makefile to set
> the value for the USE_INCHI variable, or pass this variable on the make
> command line? (default configuration is documented at the top of the
> Makefile)
>
> Best,
> Riccardo
>
>
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