electronic-structure / SIRIUS

Domain specific library for electronic structure calculations
BSD 3-Clause "New" or "Revised" License
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[refactor] better organise namespace #896

Closed toxa81 closed 10 months ago

toxa81 commented 11 months ago

This PR touches a lot of files, but it doesn't change the logic of the code. Only source file reshuffling and namespace organisation. Unused cuda code is removed. What is left is la:: space, but this will be done in separate PR after https://github.com/electronic-structure/SIRIUS/pull/900

toxa81 commented 11 months ago

cscs-ci run default

toxa81 commented 10 months ago
image

current layout of the namespaces. I'll keep la:: namespace untouched before we merge DLF Rocco's PR.

simonpintarelli commented 10 months ago

I wonder if we can just put ETH Zurich / CSCS instead of the authors because we can always trace the authors back with github and commits.

The git blame is not necessarily the same as the author, due to reformatting or other cosmetic changes. But is a global license file not enough? It would probably safe a few kb to remove the boiler plate header :)

toxa81 commented 10 months ago
  1. I saw in other codes that each file is equipped with boile plate
  2. I will be happy to switch to ETH Zurich / CSCS ownership or even sirius-org. I just need to find out if I can "just do it".
mtaillefumier commented 10 months ago

I wonder if we can just put ETH Zurich / CSCS instead of the authors because we can always trace the authors back with github and commits.

The git blame is not necessarily the same as the author, due to reformatting or other cosmetic changes.It does not scale with projects that have far too many devs. We are three so it is ok.

mtaillefumier commented 10 months ago

we do not have to do it now, I wanted to put the question on the table because we will eventually have to do something like this. I guess we can just leave it as is until SIRIUS really see external developers contribute to it.

mtaillefumier commented 10 months ago

Licencing each file is also fine.