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Quip minimal image #1

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stenczelt
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@stenczelt stenczelt commented Jun 21, 2021

CI on github actions for building the images

@stenczelt
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@jameskermode I think I need you to add the secrets here for the docker login. Then other actions that will build the other images will use that secret as well.

@jameskermode
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Unfortunately I don’t have the secrets as I was never responsible for the Docker hub account. This was probably done by Adam Fekete, if he is still reachable somewhere.

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Dockerfile looks good to me. Not sure how this should fit into the rest of the build hierarchy, maybe we don’t need all those images anymore.

@stenczelt
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I see, let me bug them. Though @gabor1 surely has the login

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Then we can tinker a little to speed up the build of those, because docker is very good at caching and we can pull the latest version of the image and build only the changes on top of it

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moreover, we will need to change the trigger, just before merging this, since now it builds them on every commit

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the failing build is due to missing f90wrap from the source directory, changed at the PyPi release:
libAtoms/QUIP@af279df

source is not there at all
@jameskermode
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Why don’t we change it to pip install rather than build?

@stenczelt
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We could change it to that for the one that is used in python, but we need to build the serial one for lammps and others. I also suggest moving this workflow over to QUIP entirely and archiving this repo. GitHub Actions can do jobs longer than an hour and detection of a job succeeding, being on the correct branch, etc. is easy enough so that there is no need for a ping from there to here.

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The only problem with the pip install may be that the version of QUIP may differ from the serial one installed, since the PyPI updates when we change the pinned version in quippy-wheels

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gabor1 commented Jun 26, 2021 via email

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gabor1 commented Jul 7, 2021

is this ready to be merged?

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4 participants