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@ltalirz ltalirz released this 01 Sep 07:03
19.09.0
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Quantum Mobile 19.09.0 is the first official release of Quantum Mobile with aiida-core 1.0 (beta 6).
The AiiDA python environment switches from python 2.7 to python 3.6.

Installation instructions

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

  1. Download virtual machine image (3.5G)
    http://bit.ly/2ZMG4Uo
    MD5 hash: 8cc33fc9391308a401e351c9d4ae3ac0
  2. Install Virtual Box 6.0.0 or later
    www.virtualbox.org
  3. Import virtual machine image into Virtualbox (9.7G)
    File => Import Appliance

Note: username: max, password: moritz
In case of issues, see the FAQ.

Changelog

Improvements

  • first official Quantum Mobile release with AiiDA 1.0
  • python environment switched from 2.7 to 3.6

Software updates

  • aiida-core v1.0.0b6
    • aiida-quantumespresso v3.0.0a5
  • aiidalab v19.08.0a1
  • Quantum ESPRESSO 6.4.1

Version Summary

This VM comes with:

  • OS: Ubuntu 18.04.3 LTS, VirtualBox 6.0.10
  • tools: slurm, openmpi, grace, gnuplot, xcrysden, jmol
  • simulation codes:
    • Quantum ESPRESSO v6.4.1
    • Yambo v4.3.2
    • fleur v0.27 MaXR3
    • siesta v4.0.1
    • cp2k v6.1
    • wannier90 v3.0
  • aiida v1.0.0b6
    • aiida-quantumespresso v3.0.0a5
    • aiida-cp2k v1.0.0b2
  • pseudopotentials
    • SSSP (PBE) accuracy v1.1
    • SSSP (PBE) precision v1.1
    • SG15 ONCV v1.1
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