Aiida-pseudo

Latest version: v1.6.0

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1.0.1

Fixes
- CLI: Change `Critical` to `Report` if family exists in `install` command [[3887762]](https://github.com/aiidateam/aiida-pseudo/commit/38877622cb658d7b37fd0f93fbdd649256146aa2)

Dependencies
- Update pre-commit requirement `isort==5.12.0` [[d3b494e]](https://github.com/aiidateam/aiida-pseudo/commit/d3b494e68444b68f200f8f01a3673b8d028ffa3e)

Devops
- Update compatibility matrix in `README.md` [[c04a7a7]](https://github.com/aiidateam/aiida-pseudo/commit/c04a7a775ef80ad41642e9faf506a2c632860c17)
- Update Python version and `setup-python` action in CI/CD [[a62ce90]](https://github.com/aiidateam/aiida-pseudo/commit/a62ce90183414ef948262024cd0b03552ef2a7c1)
- Docs: Update the URL for the `aiida-core` intersphinx inventory [[6756d1b]](https://github.com/aiidateam/aiida-pseudo/commit/6756d1b3ca05d3017c2d829924da0f6fd8b7ccb4)
- Docs: Update Python version on RTD to 3.11 [[853adbf]](https://github.com/aiidateam/aiida-pseudo/commit/853adbf86b539367d54cf83d470bcfd8a27196fd)

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)

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