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Upgrade of PostgreSQL database together with JChem PostgreSQL Cartridge

The older versions of JChem PostgreSQL Cartridge (JPC) are only compatible with one version of PostgreSQL database requiring parallel upgrade of the database and of JPC in some cases. The newer ones are already compatible with more database versions.

The steps of this upgrade procedure are described in this documentation.

See the compatibility matrix here:

JPC version PosgreSQL version
1.4 - 2.0 9.4
2.1 - 2.10 9.5
3.0 - 4.4 10
5.0 - 21.18 12.0 - 12.8
21.19 - 12
22.22 - 12, 13, 14, 15
24.3.1 - 12, 13, 14, 15, 16

Assumptions

PostgreSQL is supported by JChem PostgreSQL Cartridge (JPC) version

PostgreSQL is supported by JPC version .

Consequently, upgrading to PostgreSQL requires upgrading JPC to JPC as well, and also - in same cases - upgrading JPC to requires upgrading PostgreSQL database to .

Upgrade without keeping existing molecule type data

  1. Remove JPC (jchem-psql). E.g.:

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    sudo service postgresql stop
sudo service jchem-psql stop
sudo apt-get remove jchem-psql

  2. Remove PostgreSQL . E.g. following https://wiki.debian.org/PostgreSql.

  3. Install PostgreSQL . E.g. following https://wiki.debian.org/PostgreSql.

  4. Install new cartridge JPC . Follow steps described here.

Upgrade with keeping existing molecule type data

  1. Dump the databases. Follow the Postgres pg_dump or pg_dumpall documentation.

  2. Remove JPC (jchem-psql). E.g.:

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    sudo service postgresql stop
sudo service jchem-psql stop
sudo apt-get remove jchem-psql

  3. Remove PostgreSQL . E.g. following https://wiki.debian.org/PostgreSql.

  4. Install PostgreSQL . E.g. following https://wiki.debian.org/PostgreSql.

  5. Install new cartridge JPC . Follow steps described here.

  6. Make sure that the new postgres and cartridge service are both started.

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    sudo service jchem-psql start
sudo service postgresql start

  7. Restore databases in PostgreSQL . Follow the Postgres pg_dump, pg_dumpall or pg_restore documentation how to restore the dump file(s).

    https://www.postgresql.org/docs/current/app-pgdump.html

    https://www.postgresql.org/docs/current/app-pg-dumpall.html