[Rdkit-discuss] RDKit / Postgresql installation

[Hans De W. <han...@sk...>]

Hi,

after struggling for some time to get the postgresql extension to RDKit compiled, I now get another error whilst checking the installation:

> echo $RDBASE
/usr/local/src/RDKit_2011_12_1
> cd $RDBASE/Code/PgSQL/rdkit
> make installcheck
/usr/lib/postgresql/pgxs/src/makefiles/../../src/test/regress/pg_regress --inputdir=. --psqldir="/usr/bin" --dbname=contrib_regression rdkit-pre91 props btree molgist bfpgist-pre91 sfpgist slfpgist fps 
(using postmaster on Unix socket, default port)
============== dropping database "contrib_regression" ==============
NOTICE:  database "contrib_regression" does not exist, skipping
DROP DATABASE
============== creating database "contrib_regression" ==============
CREATE DATABASE
ALTER DATABASE
============== running regression test queries        ==============
test rdkit-pre91          ... FAILED
test props                ... FAILED
test btree                ... FAILED
test molgist              ... FAILED
test bfpgist-pre91        ... FAILED
test sfpgist              ... FAILED
test slfpgist             ... FAILED
test fps                  ... FAILED

======================
8 of 8 tests failed. 
======================

The differences that caused some tests to fail can be viewed in the
file "/usr/local/src/RDKit_2011_12_1/Code/PgSQL/rdkit/regression.diffs".  A copy of the test summary that you see
above is saved in the file "/usr/local/src/RDKit_2011_12_1/Code/PgSQL/rdkit/regression.out".

make: *** [installcheck] Error 1

Inspection of the /usr/local/src/RDKit_2011_12_1/Code/PgSQL/rdkit/regression.diffs file learns that a $libdir/rdkit file cannot be accessed (see below).

Also, the following shell-commands:

> createdb hans
> psql hans < /usr/local/src/RDKit_2011_12_1/Code/PgSQL/rdkit/rdkit.sql

return:

SET
ERROR:  could not access file "$libdir/rdkit": No such file or directory
NOTICE:  type "mol" is not yet defined
DETAIL:  Creating a shell type definition.
....
.... (Skipping a large number of lines)
....
ERROR:  could not access file "$libdir/rdkit": No such file or directory
ERROR:  could not access file "$libdir/rdkit": No such file or directory
ERROR:  type "sfp" does not exist


I guess the errors have to do with this $libdir variable, but how to set this in pgsql and what should be the value of it?

Any help is GREATLY appreciated!

Hans