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Commit 85514cf7 authored by Rodrigo Cortes Mejia's avatar Rodrigo Cortes Mejia
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Merge branch '341-new-features-and-bugfixes-release-for-second-beta' into 'master'

Resolve "New features and bugfixes release for second beta"

Closes #341

See merge request !263
parents 03196df7 81487381
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1 merge request!263Resolve "New features and bugfixes release for second beta"
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......@@ -7,6 +7,30 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/)
## [Unreleased]
## [ 0.5.2] - 2024-09-27
### Added
- **amml**: enable band structure property ([#335](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/335))
- **amml**: enable ASE's density of states algorithm ([#334](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/334))
- **amml**: enable ASE's equation of state algorithm ([#333](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/333))
- **utilities**: enable launchdir from resconfig for interactive nodes ([#328](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/328))
- **cli**: print upon request interpreter, grammar and schema version ([#325](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/325))
- **amml**: allow extraction of intermediate structures and magnetic moments ([#324](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/324))
### Fixed
- **setup**: pin mongomock package version to avoid crash caused by new release ([#340](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/340))
- **amml**: fix stress property for vasp calculator ([#339](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/339))
- **grammar**: fix some attribute names causing syntax errors ([#330](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/330))
- **interpreter**: avoid session crash from %find with incorrect query ([#329](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/329))
- **interpreter**: avoid crash from non-initialized database ([#327](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/327))
- **interpreter**: avoid errors with tag and %find with improper content ([#322](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/322))
### Changed
- **amml**: refactor AMML handler functions ([#337](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/337))
- **utilities**: implement type checking for method parameters ([#336](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/336))
- **setup**: create a workaround for fireworks problems in new installations ([#326](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/326))
- **docs**: update and improve documentation ([#323](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/323))
## [0.5.1] - 2024-08-23
### Fixed
- **constraints**: fix array datalen in two sets ([#320](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/320))
......
[metadata]
name = vre-language
version = 0.5.1
version = 0.5.2
author = The Virtmat Tools Team
author_email = virtmat-tools@lists.kit.edu
description = VRE Language
......@@ -44,7 +44,7 @@ install_requires =
dill
ase
seaborn
vre-middleware @ git+https://gitlab.kit.edu/kit/virtmat-tools/vre-middleware.git
vre-middleware
jupyter_client
ipykernel
ruamel.yaml <0.18.0
......
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