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Update aiida-core requirement from ~=1.4.3 to ~=1.5.0 #158

Merged
merged 3 commits into from
Nov 16, 2020
Merged

Update aiida-core requirement from ~=1.4.3 to ~=1.5.0 #158

merged 3 commits into from
Nov 16, 2020

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@dependabot dependabot bot commented on behalf of github Nov 16, 2020

Updates the requirements on aiida-core to permit the latest version.

Release notes

Sourced from aiida-core's releases.

AiiDA v1.5.0

This is the fifth minor version of the v1 series and comes with a couple of new features, as well as some relevant bug fixes. Support for Python 3.5 is dropped and support for Python 3.9 is added.

Process functions are now submittable

Since the changes introduced in v1.0, a process function creates a Process instance in the background, just as any other process. This means that, in principle, it could also be serialized and deserialized by a daemon worker from that point onwards. Here we remove the final limitations that prevented process functions from being fully submittable.

It is important to note that the usual rules for making processes submittable apply in this case as well: to be importable by the daemon, it will need to either be registered through an entry point or have its source module available through the PYTHONPATH environment variable. For more information on these requirements, you can check the specific section on launching processes in the AiiDA documentation.

New REST API features

This minor version introduces two new features to the REST API interface of AiiDA. The first one is that the base URL (http://127.0.0.1:5000/api/v4 in a local deployment, for example) will now return a list of the available endpoints. The second one is the addition of a new endpoint full_types_count: this returns the same branched structure that the already existing full_types, but with the addition of a counter key which contains the count of all available node instances of the type indicated.

Archive Refactor

This is part of a series of modifications that aim at making several improvements in the performance and versatility of the process of exporting and importing AiiDA archive files. These changes here should minimally affect the existing interface and might already have some performance boosts, but are an important stepping stone for more significant improvements in the upcoming versions.

Changelog

Sourced from aiida-core's changelog.

v1.5.0

In this minor version release, support for Python 3.9 is added [#4301](aiidateam/aiida-core#4301), while support for Python 3.5 is dropped [#4386](aiidateam/aiida-core#4386). This version is compatible with all current Python versions that are not end-of-life:

  • 3.6
  • 3.7
  • 3.8
  • 3.9

Features

Improvements

Bug fixes

Developers

Dependencies

### Archive (import/export) refactor:

  • The refactoring goal was to pave the way for the implementation of a new archive format in v2.0.0 ( aiidateamAEP005)
  • Three abstract+concrete interface classes are defined; writer, reader, migrator, which are independent of theinternal structure of the archive. These classes are used within the export/import code.
  • The code in aiida/tools/importexport has been largely re-written, in particular adding aiida/toolsimportexport/archive, which contains this code for interfacing with an archive, and does not require connectionto an AiiDA profile.
  • The export logic has been re-written; to minimise required queries (faster), and to allow for "streaming" datainto the writer (minimise RAM requirement with new format). It is intended that a similiar PR will be made for the import code.
  • A general progress bar implementation is now available in aiida/common/progress_reporter.py. All correspondingCLI commands now also have --verbosity option.
  • Merged PRs:

... (truncated)

Commits
  • f945dca Merge pull request #4516 from ramirezfranciscof/release/1.5.0
  • 539c0d7 Release v1.5.0
  • 62ed643 REST API: Add full_types_count as new entry point
  • 9683716 REST API: Modify assumptions for process_type
  • 810dc56 Update archive version: 0.9 -> 0.10 (#4561)
  • def9a03 Improve archive import memory usage (#4559)
  • 520bdbf Improve mypy type checking (#4553)
  • bd197f3 Archive export refactor (2) (#4534)
  • 008580e verdi group delete: deprecate and ignore the --clear option (#4357)
  • c42a86b SlurmScheduler: fix bug in validation of job resources (#4555)
  • Additional commits viewable in compare view

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@dependabot
Update aiida-core requirement from ~=1.4.3 to ~=1.5.0
3d868bc 
Updates the requirements on [aiida-core](https://github.com/aiidateam/aiida-core) to permit the latest version.
- [Release notes](https://github.com/aiidateam/aiida-core/releases)
- [Changelog](https://github.com/aiidateam/aiida-core/blob/develop/CHANGELOG.md)
- [Commits](aiidateam/aiida-core@v1.4.3...v1.5.0)

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added dependencies Pull requests that update a dependency file python Pull requests that update Python code labels Nov 16, 2020
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codecov bot commented Nov 16, 2020

Codecov Report

Merging #158 (631cdab) into develop (6a2ee7d) will increase coverage by 0.44%.
The diff coverage is 92.64%.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #158      +/-   ##
===========================================
+ Coverage    90.15%   90.59%   +0.44%     
===========================================
  Files           28       28              
  Lines         1056     1095      +39     
===========================================
+ Hits           952      992      +40     
+ Misses         104      103       -1
Flag Coverage Δ
pytest 90.59% <92.64%> (+0.44%) ⬆️

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files Coverage Δ
aiida_optimade/cli/cmd_calc.py 84.48% <88.00%> (+5.75%) ⬆️
aiida_optimade/entry_collections.py 92.67% <90.90%> (-0.23%) ⬇️
aiida_optimade/cli/cmd_init.py 95.74% <96.00%> (+4.56%) ⬆️
aiida_optimade/common/logger.py 100.00% <100.00%> (ø)

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@CasperWA CasperWA merged commit 887ea1f into develop Nov 16, 2020
@CasperWA CasperWA deleted the dependabot/pip/develop/aiida-core-approx-eq-1.5.0 branch November 16, 2020 11:33
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