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Metainfo refactor

Markus Scheidgen requested to merge v1.0.0-metainfo-refactor-markus into v1.0.0

#419 (closed), #558 (closed), #557 (closed), #551 (closed), #540 (closed)

This effects more of the source base due to heavy changes in the metainfo. Those include:

  • removing section_ prefixes
  • renaming convoluted name like section_single_configuration_calculation -> calculation, renaming most refs, etc.
  • changing the structure of major sections (calculation, system, method)
  • creating sub packages for dft definitions
  • lots of small changes to BS, DOS, k-points, energies
  • lots of new workflows and stuff

Somethings should be changed again or should at least be discussed:

  • remove ...Reference and just use plain references
  • method to method refs become subsection with plain references called core, main, ...
  • package run -> simulation
  • repeats=True for sections that mostly not repeat, but for that one tiny case
  • some sections sub-sections feel over-engineered system.chemical_formula_hill|reduced|anonymous.
  • rename to channel_info:ChannelInfo

The following still does not work or is not tested:

  • fails, i disabled it for now
  • all the property viewers are not working (except structure)
  • there are some assertions when loading metainfo.js
  • the viewers in the archive browser also not work, because the system, dos, ... layout has changed
  • the OverviewView test fails, i disabled it for now
Edited by Lauri Himanen

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