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v18.06.0
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@ltalirz ltalirz released this 07 Jun 22:45
18.06.0
b0d5445

This release involves a major change under the hood - the individual roles for setting up Quantum Mobile have been moved to their independent repositories and can all be run and combined independently, thus dramatically simplifying the task of creating and maintaining multiple variants of Quantum Mobile.

Installation instructions

Get Quantum Mobile running on your computer in three simple steps:

  1. Download virtual machine image (4.6G)
    http://bit.ly/2xUejjU
    MD5 hash: cab5f56192859a2d64c92404878e18ce
  2. Install Virtual Box 5.2.12 or later
    www.virtualbox.org
  3. Import virtual machine image into Virtualbox (12G)
    File => Import Appliance

Note: username: max, password: moritz

Changelog

Improvements

  • Add /scratch directory
  • Using shared folders no longer requires sudo
  • Move from a subset of packages to the full AiiDA Lab environment present on aiidalab.materialscloud.org (thus the slight increase in size)

Build process

  • Separate roles into independent repositories
  • Roles are installed via ansible-galaxy
  • Continuous integration tests for individual roles

Version Summary

The VM comes with:

  • OS: Ubuntu 16.04.4 LTS, VirtualBox Guest Additions 5.2.12
  • tools: torque, openmpi, xmgrace, gnuplot, xcrysden, jmol
  • qm codes:
    • Quantum ESPRESSO v6.2.1
    • Yambo v4.2.1
    • fleur v0.27 MaXR2.1
    • siesta v4.0.1
    • cp2k v5.1
    • wannier90 v2.1
  • aiida v0.12.0
    • aiida-quantumespresso v2.0.1
    • aiida-fleur v0.6.0
    • aiida-siesta v0.9.8
    • aiida-cp2k v0.9
    • aiida-yambo v0.2.5
    • aiida-wannier90 v1.0.0
  • pseudopotentials
    • SSSP (PBE) accuracy v1.0
    • SSSP (PBE) efficiency v1.0
    • SG15 ONCV v1.1

Contact

Please direct inquiries regarding Quantum Mobile to the AiiDA mailinglist

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