Re: [InChI-discuss] InChI, suggestion license adjustment

[Emma S. <emm...@un...>]

I fully support the suggestion for an adjustment in the license to be compatible with Linux Debian (and overall to be as permissive as possible); the easier it is to be cross-system compatible and fully up-to-date the better - maintaining this consistency across systems and toolkits is essential to many of the use cases (and successes) of InChI. 
Thanks,
Emma

-----Original Message-----
From: Norwid Behrnd via InChI-discuss <inc...@li...> 
Sent: Wednesday, 13 October 2021 2:46 PM
To: inc...@li...
Subject: [InChI-discuss] InChI, suggestion license adjustment

Dear all,

I would like to suggest InChI trust's license of the libraries be adjusted for compatibility with Linux Debian.

Both open source programs like OpenBabel,[1] RDKit,[2] DataWarrior,[3] as well as close source programs (e.g., ChemDraw[4]) offer the assignment of InChI and InChIKey.  Recently, I submitted two libraries of 1k and 5k molecules as v3000 .sdf to an assignment by the first three and the Linux 64bit executable offered by InChI trust.[5]  The identification of InChIKey assigned differently was helpful to improve DataWarrior.

Based on the libraries of InChI trust, Andrius Merkys agreed to add an executable to DebiChem; since September, the installation of inchi[6] in Linux Debian 12/bookworm (branch testing) offers ```inchi_main``` on the CLI to process .sdf files of multiple models.

Contrasting to the current compiled inchi-1 executable InChI trust disseminates (version 1.06, December 2020), the assigned license is not compatible with one of those Debian requests.[7]  Thus, the version offered by DebiChem can not be updated further and is constrained to version 1.03 (June 15, 2010).  Since them, however, the underlying libraries underwent further development; an example is v1.06 accepts .sdf in format v3000 (with an extended support of stereo chemistry[8]) directly.

To improve the situation, I would like to suggest an adjustment of InChI trust's license toward a pattern compatible to Debian.

Norwid

[1] https://github.com/openbabel/openbabel
[2] https://github.com/rdkit/rdkit
[3] https://github.com/thsa/datawarrior
[4] https://chemdrawdirect.perkinelmer.cloud/js/sample/index.html#
[5] https://www.inchi-trust.org/downloads/

[6] https://tracker.debian.org/pkg/inchi
[7] https://www.debian.org/legal/licenses/
[8] https://openmolecules.org/editor/editor.html


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