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Merging develop into workflows #1113

Merged
merged 162 commits into from
Feb 13, 2018
Merged

Merging develop into workflows #1113

merged 162 commits into from
Feb 13, 2018

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sphuber
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@sphuber sphuber commented Feb 12, 2018

This will merge the big caching PR #652 from @greschd and other smaller recent commits to develop into the workflows branch

lekah and others added 30 commits June 1, 2017 18:00
…ckend) that replaces the _dbnode member if a similar node already exists
…None for hash, which obviously should not be checked in the DB
* Failing test for two ArrayData with unequal content
* (Accidentally) passing test for two ArrayData of different size, with same str representation

For the ArrayData, we need to take the actual array into account when creating the hash,
not just the shape which is return in get_attrs()
Close files after reading them to create the hash.
The caching.defaults.use_cache parameter should be used by
plugin developers to mark whether a specific .store() call
CAN actually use caching. The user decides whether to use it
in the end by setting the default to True / False.
lekah and others added 23 commits January 31, 2018 19:31
…a logging mechanism for calculations that lose created data or called instance. Implemented a printout when this happens and storing to DbLog. To be reviewed for further improvements.
…ations that would lose created data or called instance will get this action written into the log. Additional warnings are printed, but it is still allowed to delete data without its creator or called workflows without their callers, since there are usecases
support the visualization of the structure with VESTA
that there are two band types (typically for spin)
…ing_source_1026

Inline calculations storing source 1026
Hashing, caching and fast-forwarding
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@muhrin muhrin left a comment

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It's too hard to check this properly so we'll rely on tests to flag up any problems.

@muhrin muhrin merged commit abedf2e into aiidateam:workflows Feb 13, 2018
@sphuber sphuber deleted the workflows branch March 7, 2018 15:10
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6 participants