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FelixBaensch / MORTAR

MOlecule fRagmenTAtion fRamework
MIT License
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MORTAR v1.2 release to do #26

Closed JonasSchaub closed 3 months ago

JonasSchaub commented 8 months ago

Update required Java version in readme and tutorial - done

JonasSchaub commented 6 months ago

Release v1.1.2 soon with all the patches and fixes of the last months. Last release is more than a year ago already!

JonasSchaub commented 4 months ago

Since I have reviewed the entire code base now, mostly guided by the issues SonarCloud detected but also documenting code in more detail in some places and fixing problems I encountered along the way (https://github.com/FelixBaensch/MORTAR/pull/49), also improving the GUI considerably in the settings view, I would now make the new release a minor one instead of a patch release. So MORTAR v1.2 instead of v1.1.2.

Bugs that should still be fixed before that:

All other issues that are marked as "to do" or "enhancement" can then be dealt with after the release of v1.2. Also the integrations of the clustering functionality and the alkyl and aromatic systems fragmenters should then be finalised.

@FelixBaensch I plan to do all this myself but most likely I will ask your opinion on some of it. E.g. the "keepLastFragmentInPipeline" setting we should discuss together once.

JonasSchaub commented 4 months ago

To do: test all MORTAR functionalities, primarily following the tutorial, and update the tutorial for the release. - done

JonasSchaub commented 4 months ago

Add Pipeline settings view: incorrect behaviour when empty row is removed to the list. And potentially also Handling of illegal values in settings views is not very intuitive if a quick fix can be found.

JonasSchaub commented 4 months ago

Issues set aside for now that were listed here earlier:

Apart from that, all issues designated to be resolved for this release are resolved now. Current to dos: update tutorial and maybe send around a beta version for testing.

JonasSchaub commented 4 months ago

Adjust CITATION.cff when the 1.2 release is actually marked

JonasSchaub commented 4 months ago

Fix https://github.com/FelixBaensch/MORTAR/issues/72 and then send around beta version for testing.

JonasSchaub commented 4 months ago

Issues to fix from the beta version:

JonasSchaub commented 3 months ago

Still to fix: