UCL-ARC / UCL-ARC/rcps-buildscripts

Install Request: CP2K v2023.1 (latest version) [IN05824831]

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#511 12 comments 0 reactions 1 assignee View on GitHub

@balston is already working on this.

Since Feb 20, 2023.

App install Young
Dominant language
Shell
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Description

Download from: https://github.com/cp2k/cp2k/releases/

Request is initially for Young and for CPU and GPU versions.

The latest CP2K needs a more recent version of OpenMPI than we currently have - 4.1.4. This means we will need to use Spack to build CP2K.

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

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