Safety vulnerability ID: 45582
The information on this page was manually curated by our Cybersecurity Intelligence Team.
Aiida-core 1.1.0 updates its dependency 'pyyaml' to include a security fix.
Latest version: 2.6.3
AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
**Nota Bene:** although this is a minor version release, the support for python 2 is dropped [(3566)](https://github.com/aiidateam/aiida-core/pull/3566) following the reasoning outlined in the corresponding [AEP001](https://github.com/aiidateam/AEP/tree/master/001_drop_python2).
Critical bug fixes for python 2 will be supported until July 1 2020 on the `v1.0.*` release series.
With the addition of python 3.8 [(3719)](https://github.com/aiidateam/aiida-core/pull/3719), this version is now compatible with all current python versions that are not end-of-life:
* 3.5
* 3.6
* 3.7
* 3.8
Features
- Add the AiiDA Graph Explorer (AGE) a generic tool for traversing provenance graph [[3686]](https://github.com/aiidateam/aiida-core/pull/3686)
- Add the `BaseRestartWorkChain` which makes it easier to write a simple work chain wrapper around another process with automated error handling [[3748]](https://github.com/aiidateam/aiida-core/pull/3748)
- Add `provenance_exclude_list` attribute to `CalcInfo` data structure, allowing to prevent calculation input files from being permanently stored in the repository [[3720]](https://github.com/aiidateam/aiida-core/pull/3720)
- Add the `verdi node repo dump` command [[3623]](https://github.com/aiidateam/aiida-core/pull/3623)
- Add more methods to control cache invalidation of completed process node [[3637]](https://github.com/aiidateam/aiida-core/pull/3637)
- Allow documentation to be build without installing and configuring AiiDA [[3669]](https://github.com/aiidateam/aiida-core/pull/3669)
- Add option to expand namespaces in sphinx directive [[3631]](https://github.com/aiidateam/aiida-core/pull/3631)
Performance
- Add `node_type` to list of immutable model fields, preventing repeated database hits [[3619]](https://github.com/aiidateam/aiida-core/pull/3619)
- Add cache for entry points in an entry point group [[3622]](https://github.com/aiidateam/aiida-core/pull/3622)
- Improve the performance when exporting many groups [[3681]](https://github.com/aiidateam/aiida-core/pull/3681)
Changes
- `CalcJob`: move `presubmit` call from `CalcJob.run` to `Waiting.execute` [[3666]](https://github.com/aiidateam/aiida-core/pull/3666)
- `CalcJob`: do not pause when exception thrown in the `presubmit` [[3699]](https://github.com/aiidateam/aiida-core/pull/3699)
- Move `CalcJob` spec validator to corresponding namespaces [[3702]](https://github.com/aiidateam/aiida-core/pull/3702)
- Move getting completed job accounting to `retrieve` transport task [[3639]](https://github.com/aiidateam/aiida-core/pull/3639)
- Move `last_job_info` from JSON-serialized string to dictionary [[3651]](https://github.com/aiidateam/aiida-core/pull/3651)
- Improve SqlAlchemy session handling for `QueryBuilder` [[3708]](https://github.com/aiidateam/aiida-core/pull/3708)
- Use built-in `open` instead of `io.open`, which is possible now that python 2 is no longer supported [[3615]](https://github.com/aiidateam/aiida-core/pull/3615)
- Add non-zero exit code for `verdi daemon status` [[3729]](https://github.com/aiidateam/aiida-core/pull/3729)
Bug fixes
- Deal with unreachable daemon worker in `get_daemon_status` [[3683]](https://github.com/aiidateam/aiida-core/pull/3683)
- Django backend: limit batch size for `bulk_create` operations [[3713]](https://github.com/aiidateam/aiida-core/pull/3713)
- Make sure that datetime conversions ignore `None` [[3628]](https://github.com/aiidateam/aiida-core/pull/3628)
- Allow empty `key_filename` in `verdi computer configure ssh` and reuse cooldown time when reconfiguring [[3636]](https://github.com/aiidateam/aiida-core/pull/3636)
- Update `pyyaml` to v5.1.2 to prevent arbitrary code execution [[3675]](https://github.com/aiidateam/aiida-core/pull/3675)
- `QueryBuilder`: fix validation bug and improve message for `in` operator [[3682]](https://github.com/aiidateam/aiida-core/pull/3682)
- Consider 'AIIDA_TEST_PROFILE' in 'get_test_backend_name' [[3685]](https://github.com/aiidateam/aiida-core/pull/3685)
- Ensure correct types for `QueryBuilder().dict()` with multiple projections [[3695]](https://github.com/aiidateam/aiida-core/pull/3695)
- Make local modules importable when running `verdi run` [[3700]](https://github.com/aiidateam/aiida-core/pull/3700)
- Fix bug in `upload_calculation` for `CalcJobs` with local codes [[3707]](https://github.com/aiidateam/aiida-core/pull/3707)
- Add imports from `urllib` to dbimporters [[3704]](https://github.com/aiidateam/aiida-core/pull/3704)
Developers
- Moved continuous integration from Travis to Github actions [[3571]](https://github.com/aiidateam/aiida-core/pull/3571)
- Replace custom unit test framework for `pytest` and move all tests to `tests` top level directory [[3653]](https://github.com/aiidateam/aiida-core/pull/3653)[[#3674]](https://github.com/aiidateam/aiida-core/pull/3674)[[#3715]](https://github.com/aiidateam/aiida-core/pull/3715)
- Cleaned up direct dependencies and relaxed requirements where possible [[3597]](https://github.com/aiidateam/aiida-core/pull/3597)
- Set job poll interval to zero in localhost pytest fixture [[3605]](https://github.com/aiidateam/aiida-core/pull/3605)
- Make command line deprecation warnings visible with test profile [[3665]](https://github.com/aiidateam/aiida-core/pull/3665)
- Add docker image with minimal running AiiDA instance [[3722]](https://github.com/aiidateam/aiida-core/pull/3722)
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