AiiDA Lab Docker Stack v18.06.0

This release adds several aiida plugins and switches to the aiidalab meta package for the python2 package stack (also used by Quantum Mobile v18.06.0).
For future updates on the python2 packages, see the aiidalab meta package

Changelog

• add aiida-widgets package
• add aiida-gudhi package
• add aiida-phtools package
• add aiida-yambo package
• add aiida_siesta package
• add aiida-fleur package
• add aiida-wannier90 package
• fix permissions issue with reentry scan in Dockerfile

Materials Cloud Docker Stack v18.05.0

This release moves from aiida-core 0.10 to 0.12.

Changelog

• upgrade aiida-core from 0.10.0 to 0.12.0
• upgrade reentry from 1.0 to 1.2
• add reentry scan to .bashrc file of every user
• upgrade seekpath from 1.6 to 1.8
• upgrade aiida-quantumespresso from 1.0 to 2.0.1
• add aiida-raspa and aiida-zeopp plugins
• faster initial container setup by loading SSSP from aiida export files
  Note: For the new users the SSSP libraries are now available under the upf family names "SSSP_accuracy_v1.0" and "SSSP_efficiency_v1.0. For the existing users these databases need to be imported manually"
• For the full list of python packages available inside the python2 environment, see requirements.txt
• move from Ubuntu 17.04 (end of life) to 17.10

Materials Cloud Docker Stack v18.05.0

This release moves from aiida-core 0.10 to 0.12.

Changelog

• upgrade aiida-core from 0.10.0 to 0.12.0
• upgrade reentry from 1.0 to 1.2.
• upgrade seekpath from 1.6 to 1.8
• upgrade aiida-quantumespresso from 1.0 to 2.0
• add aiida-raspa and aiida-zeopp plugins
• faster initial container setup by loading SSSP from aiida export files
  Note: For the new users the SSSP libraries are now available under the upf family names "SSSP_accuracy_v1.0" and "SSSP_efficiency_v1.0. For the existing users these databases need to be imported manually."
• For the full list of python packages available inside the python2 environment, see requirements.txt
• move from Ubuntu 17.04 (end of life) to 17.10

Materials Cloud Docker Stack v18.03.0

This release moves from aiida-core 0.10 to 0.11 and from the django to the sqlalchemy backend.

Changelog

• upgrade aiida-core from v0.10.0 to v0.11.2
• move from django database backend to more efficient sqlalchemy backend
• faster initial container setup by loading SSSP from aiida export files
  Note: SSSP libraries are now available under the upf family names "SSSP_accuracy_v1.0" and "SSSP_efficiency_v1.0"
• For the full list of python packages available inside the python2 environment, see requirements.txt
• move from Ubuntu 17.04 (end of life) to 17.10

Materials Cloud Docker Stack v17.11.0

First release of Docker Stack for jupyter section of Materials Cloud

Version summary

• aiida v0.10.0 (django backend)
• SSSP v0.7 (PBE + PBESOL)
• appmode v0.2.0