Availability of cp2k docker image

Rohit Dhariwal

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Nov 30, 2021, 3:40:38 PM11/30/21

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Hi,

cp2k is used by several users of our HPC cluster and I have found cp2k is a bit tricky to install. We generally use Singularity to download the docker images as singularity containers of hard to install software from Docker Hub. So, I just wanted to check if there's a docker image of cp2k available on Docker Hub that I can use, and run the container using Singularity on our cluster.

Best regards,

Rohit

Ole Schütt

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Dec 1, 2021, 7:47:43 AM12/1/21

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Hi Rohit,

production docker images are on my TODO-shortlist. My plan is to upload some images to DockerHub towards the end of the year - after the next release.

-Ole

Rohit Dhariwal

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Dec 2, 2021, 1:31:21 PM12/2/21

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Thank you for your reply, Ole. It'll be really helpful if you could add some images to DockerHub. Is there any webpage where updates are posted regularly so that I could know when you've uploaded the Docker images?

Best,

Rohit

Rohit Dhariwal

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Jan 6, 2022, 8:59:02 PM1/6/22

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Hi Ole,

Happy new year! Just wanted to follow up to see if you got a chance to upload the Docker images for the latest version of cp2k on DockerHub.

Best,

Rohit

Ole Schütt

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Jan 11, 2022, 7:12:33 AM1/11/22

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Hi Rohit,

Happy new year to you too :-)

Unfortunately, the DockerHub images slipped by a few weeks. It's now the next item on my list after landing https://github.com/cp2k/cp2k/pull/1863.

-Ole

Ole Schütt

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Mar 11, 2022, 6:13:25 AM3/11/22

to cp2k

Hi Rohit,

I finally managed to put an image on DockerHub again: https://hub.docker.com/r/cp2k/cp2k

Let me know how it goes.

-Ole

Rohit Dhariwal

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Mar 14, 2022, 3:04:40 PM3/14/22

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Thanks a lot, Ole. Sure, I'll let you know how it goes.

Best,

Rohit

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