Making changes to an existing workflow

I am trying to make some changes to an existing workflow “isotherm_accurate” and I don’t believe that the logic I want to implement is working. I suspect that I am not writing the code correctly. I would really appreciate if someone can help

Hi Elias! :wave: We’ll need some more information before we can help. What changes are you trying to make? Can you point us to the changes you’ve already made, preferably e.g. in a branch on Github?

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I am sorry, but unfortunately everything is local. Usually I make changes, then test, then push the new workflow when I am happy with the results :sweat_smile:

That makes sense. :upside_down_face: But it’d be good if we can have a look at the code to see what’s happening. Do you already have a fork on Github? If not, I’d make one, and add it locally:

git remote add fork<YOUR_GITHUB_USERNAME>/aiida-lsmo

Don’t forget to replace <YOUR_GITHUB_USERNAME> here by your actual username, of course. ^^
Then you can create a new branch and commit your changes to the work chain

git checkout -b local-changes
git commit -am 'Adapt the `IsothermAccurateWorkChain`'

You should now see nothing to commit, working tree clean when doing git status.
Then you can push the local branch to the fork remote:

git push -u fork

Then you can point us to the branch on GitHub, or even open a Draft PR into the aiida-lsmo develop branch so we can see the changes more clearly.

Thank you for the step by step guidance. I hope I didn’t mess-up things.
I already pushed the changes to GitHub - lsmo-epfl/aiida-lsmo: AiiDA workflows for the LSMO laboratory at EPFL

Please let me know if you can see the changes

Great, thanks @ElMouba! I’ve made a draft pull request where we can see and discuss the changes:

Let’s continue working there!