The JTHERGAS core system depends on SQL (mySQL). You can download the free 'mySQL Community Server' from mySQL's download page (for the appropriate operating system).
When setting up mySQL, note the following information that is needed for JThermodynamics:
host machine: If you installed in on your machine this would be 'localhost'
mySQL port: The default port is 3306
root password: This is asked during the installation (I use 'laguna')
You can download the GPL version of mySQL from the mySQL download page. I would recommend:
MacOS: use the dmg file to walk you through the installation
Microsoft Windows: Use the microsoft windows installer (MSI file)
Linux: for generic linux, a tar ball is necessary. Some Linux installations have other means
I would also recommend downloading the mySQL workbench with the installation (makes looking at and creating the database a bit easier)
There are several tutorials that could help setting up the mySQL on your machine:
https://www.sitepoint.com/how-to-install-mysql/ (from the mySQL website, choose the type of machine you are using)
https://www.mysqltutorial.org/install-mysql/ (a detailed, with screenshots, explanation of installing on windows)
https://www.sitepoint.com/how-to-install-mysql/ (installing mySQL on a windows machine)
Once you have the mySQL database, you can install the default information for the JThermodynamics system. The JThermodynamics_XXXX.sql file has the sql commands to set up database. This essentially entails reading in this file into your mySQL installation.
In the terminal, go to the directory where the JThermodynamics_XXXX.sql is and start mysql:
mysql -u root -p
This command will ask you for a password. If mysql is not found, it could be that it is not in your CLASSPATH. In a UNIX system, the location is /usr/local/mysql/bin, for example.
The result should be something like this:
mysql -u root -p
Enter password:
Welcome to the MySQL monitor. Commands end with ; or \g.
Your MySQL connection id is 83
Server version: 5.7.18 MySQL Community Server (GPL)
Copyright (c) 2000, 2017, Oracle and/or its affiliates. All rights reserved.
Oracle is a registered trademark of Oracle Corporation and/or its
affiliates. Other names may be trademarks of their respective
owners.
Type 'help;' or '\h' for help. Type '\c' to clear the current input statement.
mysql>
At the mysql> prompt you can type in commands that create the JThermodynamics database.
To create the database, use the CREATE command (commands end with a semi-colon):
CREATE thermodynamics;
You can use the SHOW DATABASES; command to see that the thermodynamics database has been created.
SHOW DATABASES;
The output should be something like this:
+--------------------+
| Database |
+--------------------+
| thermodynamics |
+--------------------+
Now you want to load this database with the thermodynamic information. The first command is to say thay you want to use the thermodynamics database, with the USE command:
USE thermodynamics;
Next you should read in the database information with the SOURCE command followed by the sql file. The following command assumes you started mysql in the same directory as the sql file (otherwise you give the pathname to that file):
SOURCE JThermodynamics_20110706.sql;
To see that you have all the info in the tables, you can use the SHOW TABLES command:
SHOW TABLES;
+-------------------------+
| Tables_in_mine |
+-------------------------+
| Administration |
| AtomCounts |
| AuthorTag |
| BondLength |
| CMLStructures |
| CalculationTable |
| DatabaseMolecule |
| DisassociationEnergy |
| GroupElement |
| GroupStandardEnthalpy |
| GroupStandardEntropy |
| HeatCapacityElement |
| MetaAtomInfo |
| Molecule |
| NameListSet |
| ReferenceTag |
| SourceTag |
| StructureAtom |
| StructureBond |
| StructureType |
| SymmetryDefinition |
| SymmetryPairAssignments |
| Vectors |
| VibrationalStructures |
+-------------------------+
24 rows in set (0.00 sec)
If you installed SQL workbench: