rdkit_containers's Issues

Problems build docker container

Hello,

I'm trying to build docker container using by Dockerfile based on ubuntu_xenial_cartridge/Dockerfile.
And I get the error in regression test step:

sh ./Code/PgSQL/rdkit/pgsql_regress.sh
(using postmaster on Unix socket, default port)
============== dropping database "regression" ==============
NOTICE: database "regression" does not exist, skipping
DROP DATABASE
============== creating database "regression" ==============
CREATE DATABASE
ALTER DATABASE
============== running regression test queries ==============
test rdkit-91 ... ok
test props ... ok
test btree ... ok
test molgist ... ok
test bfpgist-91 ... ok
test sfpgist ... ok
test slfpgist ... ok
test fps ... ok
test reaction ... FAILED
test avalon ... ok
test inchi ... ok

=======================
1 of 11 tests failed.

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

I want to know why i am getting this error.
And anyone know how to fix this problem?

Thanks.
regression.out.txt
regression.diffs.txt

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