From 1a49b14ecba1d9960291003e25b5a1a52b119304 Mon Sep 17 00:00:00 2001 From: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com> Date: Wed, 4 Sep 2024 16:16:41 +0200 Subject: [PATCH] Use proper packages (#258) * Use newly published oteapi-dlite-Mod package * Revert "Release v0.6.0.dev0 - Changelog" This reverts commit 866661a45b3666c45ab33dabc16233d6a1bef3cd. --- CHANGELOG.md | 57 ++----------------------------------- oteapi_optimade/__init__.py | 2 +- pyproject.toml | 2 +- 3 files changed, 5 insertions(+), 56 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 7bc18ef..564bbca 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -2,58 +2,11 @@ ## [Unreleased](https://github.com/SINTEF/oteapi-optimade/tree/HEAD) -[Full Changelog](https://github.com/SINTEF/oteapi-optimade/compare/v0.6.0.dev0...HEAD) +[Full Changelog](https://github.com/SINTEF/oteapi-optimade/compare/v0.5.1...HEAD) -## Support modern session handling in OTEAPI Core - -From OTEAPI Core v0.7.0, sessions are handled differently in strategies, leading to signature changes in the strategy methods. -This development release version matches the current development release version(s) of OTEAPI Core (and OTELib). - -### Single entity OPTIMADE Structure Resource - -A single entity has been added to parse an OPTIMADE Structure resource. -The DLite parse strategy has been updated to support this new entity. - -Furthermore, utility/helper functions to parse the resulting `species` and `assemblies` data are available at `oteapi_optimade.parse_species()` and `oteapi_optimade.parse_assemblies()`, respectively. - -### DX updates - -The permanent dependencies branch has been removed in favor of using Dependabot's groups feature and merging everything directly into `main`. - -**Implemented enhancements:** - -- Stop using the permanent dependencies branch [\#254](https://github.com/SINTEF/oteapi-optimade/issues/254) - -## [v0.6.0.dev0](https://github.com/SINTEF/oteapi-optimade/tree/v0.6.0.dev0) (2024-09-04) - -[Full Changelog](https://github.com/SINTEF/oteapi-optimade/compare/v0.5.1...v0.6.0.dev0) - -## Support modern session handling in OTEAPI Core - -From OTEAPI Core v0.7.0, sessions are handled differently in strategies, leading to signature changes in the strategy methods. -This development release version matches the current development release version(s) of OTEAPI Core (and OTELib). - -### Single entity OPTIMADE Structure Resource - -A single entity has been added to parse an OPTIMADE Structure resource. -The DLite parse strategy has been updated to support this new entity. - -Furthermore, utility/helper functions to parse the resulting `species` and `assemblies` data are available at `oteapi_optimade.parse_species()` and `oteapi_optimade.parse_assemblies()`, respectively. - -### DX updates - -The permanent dependencies branch has been removed in favor of using Dependabot's groups feature and merging everything directly into `main`. - -**Implemented enhancements:** - -- Support new OTEAPI session handling [\#213](https://github.com/SINTEF/oteapi-optimade/issues/213) -- Minimize SOFT data model to a single file [\#195](https://github.com/SINTEF/oteapi-optimade/issues/195) - -**Merged pull requests:** +**Fixed bugs:** -- Remove everything to do with the permanent dependencies branch [\#255](https://github.com/SINTEF/oteapi-optimade/pull/255) ([CasperWA](https://github.com/CasperWA)) -- Support OTEAPI Core v0.7 [\#236](https://github.com/SINTEF/oteapi-optimade/pull/236) ([CasperWA](https://github.com/CasperWA)) -- Single SOFT entity for structure resource [\#196](https://github.com/SINTEF/oteapi-optimade/pull/196) ([CasperWA](https://github.com/CasperWA)) +- Use Trusted Publishers with PyPI [\#252](https://github.com/SINTEF/oteapi-optimade/issues/252) ## [v0.5.1](https://github.com/SINTEF/oteapi-optimade/tree/v0.5.1) (2024-09-03) @@ -65,10 +18,6 @@ Update dependencies to support the latest core libraries. This release is done almost immediately prior to the v0.6.0.dev0 release, which will support the upcoming re-design of OTEAPI Core and the use of sessions. -**Fixed bugs:** - -- Use Trusted Publishers with PyPI [\#252](https://github.com/SINTEF/oteapi-optimade/issues/252) - **Merged pull requests:** - Use Trusted Publishers for publishing on PyPI [\#253](https://github.com/SINTEF/oteapi-optimade/pull/253) ([CasperWA](https://github.com/CasperWA)) diff --git a/oteapi_optimade/__init__.py b/oteapi_optimade/__init__.py index ad7e71e..0dd9592 100644 --- a/oteapi_optimade/__init__.py +++ b/oteapi_optimade/__init__.py @@ -12,7 +12,7 @@ from ._utils import parse_assemblies, parse_species -__version__ = "0.6.0.dev0" +__version__ = "0.5.1" __author__ = "Casper Welzel Andersen" __author_email__ = "casper.w.andersen@sintef.no" diff --git a/pyproject.toml b/pyproject.toml index 351ff61..a64f98a 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -34,7 +34,7 @@ dependencies = [ "optimade[server] ~=1.1", "oteapi-core ~=0.7.0.dev2", # "oteapi-dlite >=0.2.0,<1", - "oteapi-dlite-mod @ git+https://github.com/SINTEF/oteapi-dlite-Mod.git@master#egg=oteapi-dlite-mod", + "oteapi-dlite-Mod >=0.2.0,<1", "requests ~=2.32", "typing-extensions ~=4.12; python_version < '3.10'", ]