Aiida-pseudo

Latest version: v1.5.0

Safety actively analyzes 662773 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 2 of 4

1.0.0

As the package has been in production for quite some while, the current state, which was already released with `v0.9.0`, is released as the first stable major version.
The only change is the removal of a workaround that was added to `v0.6.0` for backwards-compatibility.

Changes
- `RecommendedCutoffMixin`: Remove workaround for stringency units [[147]](https://github.com/aiidateam/aiida-pseudo/pull/147)

0.9.0

Features

- Add support for SSSP v1.2 [[144]](https://github.com/aiidateam/aiida-pseudo/pull/144)

0.8.0

Features
- `PsmlData`: add parsing of Z-valence from file [[125]](https://github.com/aiidateam/aiida-pseudo/pull/125)
- CLI: reduce the load time significantly [[142]](https://github.com/aiidateam/aiida-pseudo/pull/142)
- CLI: filter cutoffs from JSON file for family cutoffs set [[132]](https://github.com/aiidateam/aiida-pseudo/pull/132)
- CLI: block family cutoffs set for established families [[134]](https://github.com/aiidateam/aiida-pseudo/pull/134)

Dependencies
- Update to be compatible with `aiida-core~=2.1` [[136]](https://github.com/aiidateam/aiida-pseudo/pull/136)
- Add support for Python 3.11 [[139]](https://github.com/aiidateam/aiida-pseudo/pull/139)

Devops
- Update all `pre-commit` dependencies [[124]](https://github.com/aiidateam/aiida-pseudo/pull/124)
- Update dependency `pylint==2.15.5` [[137]](https://github.com/aiidateam/aiida-pseudo/pull/137)
- Refactor: remove use of deprecated `distutils` module [[126]](https://github.com/aiidateam/aiida-pseudo/pull/126)
- Refactor: replace `tmpdir` fixture with `tmp_path` [[127]](https://github.com/aiidateam/aiida-pseudo/pull/127)
- Refactor: remove use of `os.path` in favor of `pathlib` [[128]](https://github.com/aiidateam/aiida-pseudo/pull/128)
- Docs: remove manual addition of package to `sys.path` [[129]](https://github.com/aiidateam/aiida-pseudo/pull/129)
- Docs: add acknowledgements [[133]](https://github.com/aiidateam/aiida-pseudo/pull/133)
- Tests: address warnings [[138]](https://github.com/aiidateam/aiida-pseudo/pull/138)

0.7.0

Fixes
- CLI: Fix bug in `install family` when downloading from URL [[110]](https://github.com/aiidateam/aiida-pseudo/pull/110)
- CLI: Replace SSSP link to legacy MC Archive [[110]](https://github.com/aiidateam/aiida-pseudo/pull/110)

Changes
- Use `typing.NamedTuple` for pseudo family configurations [[111]](https://github.com/aiidateam/aiida-pseudo/pull/111)

Dependencies
- Add compatibility with `aiida-core==2.0` [[120]](https://github.com/aiidateam/aiida-pseudo/pull/120)
- Update Python compatibility: drop Python 3.6 and 3.7, add support for Python 3.10 [[117]](https://github.com/aiidateam/aiida-pseudo/pull/117)
- Update and pin `pylint==2.13.7` [[116]](https://github.com/aiidateam/aiida-pseudo/pull/116)

Tests
- Do not rely on actual URL to test install family [[112]](https://github.com/aiidateam/aiida-pseudo/pull/112)

Devops
- Adopt PEP 621 and move build spec to `pyproject.toml` [[118]](https://github.com/aiidateam/aiida-pseudo/pull/118)
- Move the source directory into `src/` [[121]](https://github.com/aiidateam/aiida-pseudo/pull/121)
- Add GitHub Actions workflow for continuous deployment [[123]](https://github.com/aiidateam/aiida-pseudo/pull/123)
- Add compatibility matrix `README.md` [[122]](https://github.com/aiidateam/aiida-pseudo/pull/122)
- Add proper file extension to license file [[119]](https://github.com/aiidateam/aiida-pseudo/pull/119)
- Update the `pre-commit` configuration [[113]](https://github.com/aiidateam/aiida-pseudo/pull/113)

0.6.3

Fixes
- CLI: update base URL to SSSP files on Materials Cloud [[104]](https://github.com/aiidateam/aiida-pseudo/pull/104)

Devops
- Dependencies: remove temporary upper limit for sqlalchemy [[73]](https://github.com/aiidateam/aiida-pseudo/pull/73)
- Dependencies: put upper limit on psycopg2-binary [[106]](https://github.com/aiidateam/aiida-pseudo/pull/106)

0.6.2

This release comes with the addition of the first version of the [online documentation](https://aiida-pseudo.readthedocs.io/en/latest/).
It is now also possible to construct a new pseudopotential data node from a filepath on disk instead of a bytestream.

Features
- CLI: add support for units to `family show` [[97]](https://github.com/aiidateam/aiida-pseudo/pull/97)
- `PseudoPotentialData`: allow `str` or `Path` for `source` argument [[98]](https://github.com/aiidateam/aiida-pseudo/pull/98)

Improvements
- `RecommendedCutoffMixin`: improve error messages [[86]](https://github.com/aiidateam/aiida-pseudo/pull/86)
- Docs: add first version of documentation [[88]](https://github.com/aiidateam/aiida-pseudo/pull/88)

Page 2 of 4

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.