openeuler/wannier90 repository overview

⁠Quick reference

• The official wannier90 docker image.

• Maintained by: openEuler CloudNative SIG⁠.

• Where to get help: openEuler CloudNative SIG⁠, openEuler⁠.

⁠wannier90 | openEuler

The home of maximally-localised Wannier functions (MLWFs) and Wannier90, the computer program that calculates them. The Maximally-Localised Generalised Wannier Functions Code.

Learn more on Wannier90⁠.

⁠Supported tags and respective Dockerfile links

The tag of each wannier90 docker image is consist of the version of wannier90 and the version of basic image. The details are as follows

⁠Usage

In this usage, users can select the corresponding {Tag} based on their requirements.

• Pull the openeuler/wannier90 image from docker

  docker pull openeuler/wannier90:{Tag}
  

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• Start a wannier90 container instance, running the program on a <seedname>.win file in the current directory

  docker run --name wannier90 --rm -v $PWD:/workspace openeuler/wannier90:{Tag} wannier90.x <seedname>
  

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• View container running logs

  docker logs wannier90
  

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• To get an interactive shell

  docker exec -it wannier90 /bin/bash
  

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⁠Question and answering

If you have any questions or want to use some special features, please submit an issue or a pull request on openeuler-docker-images⁠.