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Update copyright year and clean up code/imports #2

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vanderhe
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@vanderhe vanderhe commented Jun 8, 2022

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@ThijsSmolders ThijsSmolders merged commit f5160db into Teoroo-CMC:master Nov 7, 2022
@vanderhe vanderhe deleted the updateCopyrightAndCleanup branch November 7, 2022 09:09
@ThijsSmolders
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Many thanks for this Tammo! I'll try and remember to change the copyright settings come 2023 :)

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vanderhe commented Nov 7, 2022

In DFTB+ we have simple tools to automate trivial changes to the source files, e.g. set_source_headers. At some point we could add a script to CCS that changes the header/copyright year as well.

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Good idea, it looks clean!

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Hi Tammo! Sorry for the bother, but I'm at a bit of a loss. Don't worry if you have no idea, but I figured it's worth asking regardless. Ever since I merged your changes, the ci workflow seems to be broken. Specifically what happens is that since the merge the init.py file does not seem to be recognized, which initialises a namespace package instead of a regular package. I don't really have an idea how your proposed changes could have broken this feature. If you have any idea, let me know! If not, I'll try and go back to an earlier version and look at your changes once more in more detail to figure it out. Thanks in advance!

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vanderhe commented Nov 8, 2022

Hi Thijs, probably some of my changes were incompatible with the codebase which moved on. I don't have time at the moment but will have a more detailed look this evening (provided you didn't fix it till then).

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Hi Tammo, I still have no clue why the suggested changes broke the ccs initialisation, but I've just gone back to an older version and changed the copyright headers myself now. So no need for you to spend more time on it I guess, but thanks anyway for your suggestions, they're very much appreciated. Apologies for them not being merged sooner in the old codebase, I have just recently joined the project and was only added as a developer last week. I'll keep an eye out for other contributions and implement them sooner if they arise. I also wanted to say that it's nice to meet you! I am actually also planning to do some work here in Uppsala implementing dftb into our workflows, so you might hear more from me in the (near) future, if that's okay :) Unless you prefer that to be done through Jolla and Balint, which is also fine by me! Anyway, thanks again!

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vanderhe commented Nov 8, 2022

That's the programmers life I guess ;), nice to see that the CCS project remains under active development and found a new/additional maintainer. It's a very important project for the DFTB community and I'm not getting tired of recommending it to other people, especially members of our group. If any questions arise regarding DFTB(+), I'm always happy to help. You can reach me via the usual channels (mail, Zoom, Skype, ...).

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I guess you're right haha, it's not a lot of fun bashing your head against the same issue for a full day but it's still progress I guess. And I'm glad you're so appreciative of the project. I have not had a lot of contributions to it (yet), but am hoping to improve it more in the near future! I'm probably most responsive on Zoom these days myself, so I've just tried adding you there through your Bremen uni email account. If that didn't work, here's mine; thijs.smolders@kemi.uu.se!

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