v2022.1004

What's Changed

• Fix Python version in build.json by @danielhollas in #326

Full Changelog: v2022.1003...v2022.1004

v2022.1003

What's Changed

• Remove AiiDA version defaults in Dockerfiles by @mbercx in #311
• autocomplete set using bash_source by @unkcpz in #315
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #313
• Bump AiiDA core version to 2.0.4. by @csadorf in #312
• Using base image with python version 3.9.13 by @unkcpz in #318
• Bumper aiida-core version to v2.1.2 by @unkcpz in #322

Full Changelog: v2022.1002...v2022.1003

v2022.1002

What's Changed

• Remove obsolete start-notebook.sh file. by @csadorf in #300
• Fix: Use 'core.direct' instead of 'direct' to setup scheduler. by @csadorf in #303
• Fix: Permissions of the erlang cookie before start of the RMQ server. by @csadorf in #299
• Build with AiiDA version 2.0.3. by @csadorf in #301
• Fix: Set correct home directory for localhost workdir by @mbercx in #309

Full Changelog: v2022.1001...v2022.1002

v2022.1001

What's Changed

• The stack now contains different image variants and the tag schema was slightly adjusted. Please see the README for details.
• All image variants are based on the jupyter/minimal-notebook image.
• Support for AiiDA 2.0
• Support for Python 3.9.2
• Adopt new version schema for regular releases (YYYY.BUILD, example: 2022.1001).

Full Changelog: v22.08.0...2022.1001

v22.08.0

What's Changed

• Fix issue causing notebook server fail related to hidden files. by @csadorf in #261
• Use PEP440 mode to determine docker image tags. by @csadorf in #262
• CI: Configure pre-commit schedule to run quarterly by @csadorf in #273
• Configure pip to respect dependency constraints. by @csadorf in #269
• Constrain the pip version by @csadorf in #271
• Update dependencies by @yakutovicha in #274
• Release 22.08.0 by @yakutovicha in #275

Full Changelog: v22.01.0...v22.08.0

v22.06.0a2

What's Changed

• Fix issue causing notebook server fail related to hidden files. by @csadorf in #261
• Use PEP440 mode to determine docker image tags. by @csadorf in #262

Full Changelog: v22.06.0a1...v22.06.0a2

v22.06.0a1

What's Changed

• CI: Add pre-commit config by @csadorf in #246
• Bump dependencies by @yakutovicha in #257
• Release/22.06.0a1 by @yakutovicha in #260

Full Changelog: v22.01.0...v22.06.0a1

v22.01.0

What's Changed

• feat: support notebooks in markdown by @ltalirz in #231
• Correctly remove the content of .trash folder by @yakutovicha in #232
• Fix: Remove obsolete link command that causes file system loop. by @csadorf in #234
• README: update information about available tags. by @yakutovicha in #235
• Bump aiidalab-home version to 22.01.0 by @yakutovicha in #237
• Update recommended approach for local deployment to use aiidalab-launch by @csadorf in #236
• Release/22.01.0 by @yakutovicha in #238

Full Changelog: v21.12.0...v22.01.0

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