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prep release 🚀 (#409)
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jacksund authored Mar 12, 2023
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22 changes: 12 additions & 10 deletions docs/change_log.md
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Expand Up @@ -68,16 +68,7 @@ There is one key exception to the rules above -- and that is with `MAJOR`=0 rele
**Fixes**
-->

**Fixes**

- recover from `connection already closed` errors after long workflow runs
- fix bug where `simmate database reset` fails when there is no database `postgres` available
- update django regression of `django.db.backends.postgresql_psycopg2` to `django.db.backends.postgresql`
- fix bug where simmate cannot read vasp results due atypical number (e.g. -0.33328-312)
- fix bug where postgres cannot json serialize bs or dos results (int64 numbers)
- fix incorrect pointing of VASP potcars in matproj presets
- from `from_directory` method of the `Relaxation` database class
- fix HSE bandstructure and DOS kpoint file writing
- no new changes have been merged into the `main` branch yet

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We strongly recommend clearing your `~/simmate/` directory, especially the
`my_env-apps.yaml` file because app names have changed.

**0.13.1 (2023.03.11)**

- recover from `connection already closed` errors after long workflow runs
- fix bug where `simmate database reset` fails when there is no database `postgres` available
- update django regression of `django.db.backends.postgresql_psycopg2` to `django.db.backends.postgresql`
- fix bug where simmate cannot read vasp results due atypical number (e.g. -0.33328-312)
- fix bug where postgres cannot json serialize bs or dos results (int64 numbers)
- fix incorrect pointing of VASP potcars in matproj presets
- from `from_directory` method of the `Relaxation` database class
- fix HSE bandstructure and DOS kpoint file writing

--------------------------------------------------------------------------------

## v0.12.0 (2022.10.23)
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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -31,7 +31,7 @@ name="simmate"
# Versions should comply with PEP 440:
# https://www.python.org/dev/peps/pep-0440/
# https://semver.org/
version="0.13.0"
version="0.13.1"

# Maintainer info
authors = [{name = "Jack D. Sundberg", email = "[email protected]"}]
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