inchi native library for IBM AIX system not available

Dear experts,

  In our jchem base project, we preferred to install both jchem and oracle in IBM AIX 64-bit operating system. Considering the security of our production database, we first installed on a testing server with software below:

 

IBM AIX 5.0 64-bit system

Oracle 10g 10.2.0.4

JChem 5.11.3

JDK6_64 1.6.0 for AIX

 

Everything worked fine, except that I found  no corresponding JAR package for inchi format converter on AIX system. I can only find inchi-native-linux-1.3.jar, inchi-native-linux64-1.3.jar, inchi-native-macosx-1.3.jar, inchi-native-windows-1.3.jar, inchi-native-windows64-1.3.jar,then I met exception like:

 

Error while evaluating expression:

molString("inchi:AuxNone")

    chemaxon.marvin.io.MolExportException: Native library is not initialized.

SEVERE: Error while testing Chemical Terms 'molString("inchi:AuxNone")' for column 'chemterm1': Error while evaluating expression:

molString("inchi:AuxNone")

chemaxon.marvin.io.MolExportException: Native library is not initialized.

I want to know whether it's possible to compile an AIX version inchi-native-aix64-1.3.jar? Maybe you also need to modify some other files to recognize this OS name and filename. So far the temporary workaround is to calculate inchistring and inchikey in Linux system and saved in extra database fields for web presentation.But this does not solve the real problem.

 

It's a big problem for our commercial contract, hope to get a satisfying solution for this problem. Thanks!

 

Another question is the inchi native library is not automatically copied to $home/.chemaxon/lib/ directory, maybe just because no matched IBM AIX version lib files found, on linux system, it works fine!

Dear Liu,

our software calls out to the IUPAC-distributed binaries which are not open source. Unfortunately, these binaries are available only for Windows and Linux. The Inchi project itself is not open source so there is no way that I know of to create inchi-native-aix.jar.

Our software doesn't copies any of the inchi-native jars to the chemaxon folder because there is no jar for your system and we don't try to use Linux binaries under AIX.

Best regards,

Peter

gezapeti wrote:

Dear Liu, our software calls out to the IUPAC-distributed binaries which are not open source. Unfortunately, these binaries are available only for Windows and Linux. The Inchi project itself is not open source so there is no way that I know of to create inchi-native-aix.jar. Our software doesn't copies any of the inchi-native jars to the chemaxon folder because there is no jar for your system and we don't try to use Linux binaries under AIX. Best regards, Peter

Dear gezapeti,

   Thanks for your detailed explanation! Seems not a good news, can we suggest IUPAC to compile more binaries for other operating system? It should not be quite difficult if the library is written in standard C++ or other similar language, however, IBM AIX system is really unusual in our daily life, few people have access to them.

I have found some discussions about the AIX compilations in the Inchi mail archive.  ( http://sourceforge.net/p/inchi/mailman/message/1619889/ )

I will register onto their mail list and try to get more information about this.

However if we manage to create a native binary for AIX, I don't think that we will patch 5.11.3 to work with it. Is there any reason that prevents you from upgrading to our latest release?

gezapeti wrote:

I have found some discussions about the AIX compilations in the Inchi mail archive.  ( http://sourceforge.net/p/inchi/mailman/message/1619889/ ) I will register onto their mail list and try to get more information about this. However if we manage to create a native binary for AIX, I don't think that we will patch 5.11.3 to work with it. Is there any reason that prevents you from upgrading to our latest release?

Dear expert,

  Because our AIX system has been running oracle database for years as production environment, the software is somehow outdated as below:

AIX system 5.1

Oracle 10.2.0.4

Java 1.6.0 64-bit for AIX (no 1.7.x is available for us, it's not found on Oracle official website or somewhere else)

If the latest Jchem can support JDK 1.6, then it will not be a big problem for us to upgrade to latest JChem. The reason why we are still using old JChem is that v5.11.3 was the latest version at the beginning of our project and it can provide all necessary functions for us.

 

Hope to hear your exciting progress of the inchi library compilation on AIX system, this may help many other high-level applications on IBM system. Great thanks!

Dear Liu, 

I regret to inform you that we did not manage to get the InChi library working on AIX systems so it won't be included in the upcoming releases. 

I can only suggest to install our software on a different system and connect it to the AIX-based one via web services or something similar.

Best regards, 

Peter