UCL-ARC / UCL-ARC/rcps-buildscripts

Install Request: Octopus

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App install Young
Dominant language
Shell
Stars
42
Forks
26
PR merge metrics
No merged PRs in 30d

Description

Application: Octopus 15.1

Link: https://octopus-code.org/documentation/15/

Cluster: Young

Description: A real-space finite-difference (time-dependent) density-functional theory code.

License: open source, GPL-licensed.

Special versions or variants: +cuda +libvdwxc +berkeleygw

Only up to version 6 is available on Young at the moment.

Contributor guide

No contributing guide indexed for this repository

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.

Research direction

Start by locating the existing Octopus installation for the Young cluster, which currently provides up to version 6, then read the Octopus 15.1 documentation linked in the issue. Done means Octopus 15.1 is available on Young with the requested CUDA, libvdwxc, and BerkeleyGW variants where supported.

Written by the indexing model from the issue text.

Assessment

Domain
build-system, infrastructure
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
42/100

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