diff --git a/CHANGELOG.md b/CHANGELOG.md index 0ab02cfcabcd253fd7ff0265c45cace9d66a7641..4c434ce945d81114373844bfb05f3bd4397e9384 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,6 +6,36 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/) ## [Unreleased] +## [0.5.5] - 2025-01-13 + +### Added +- **docs**: add FAQ to docs ([#392](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/392)) +- **docs**: add a link in the docs regarding FireWorks setup ([#387](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/387)) +- **amml**: implement velocity distributions ([#385](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/385)) +- **interpreter**: add support for tuple subscripting ([#379](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/379)) +- **amml**: enable plotting reaction energy profile diagrams ([#371](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/371)) + +### Fixed +- **interpreter**: infer the subdtype but not convert to default subdtype with pint-pandas >=0.7 ([#396](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/396), [#398](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/398)) +- **interpreter**: add end-of-file to terminated general reference rule to allow variable with a single reference as parameter ([#389](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/389)) +- **interpreter**: fix diverse type errors causing crashes ([#394](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/394)) +- **interpreter**: prevent crash when printing function value in asynchronous on-demand evaluation ([#391](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/391)) +- **grammar**: prevent crash with numeric literal in place of units ([#388](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/388)) +- **interpreter**: handle exceptions from database with large documents (solved in the context of [#388]((https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/388))) +- **cli**: prevent crash in the import section of text session ([#384](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/384)) +- **constraints**: check first argument of issubclass ([#382](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/382)) +- **interpreter**: prevent crash with type() function applied to imports ([#386](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/386)) +- **examples**: update the examples for the recent grammar changes ([#380](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/380)) +- **interpreter**: prevent evaluating non-active models in case of synchronous and asynchronous on-demand workflow evaluation ([#381](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/381)) +- **docs**: correct the docs section about extending SCL ([#378](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/378)) + +### Changed +- **cli**: revise some CLI options: remove `--textx-debug`, add `%help` in `%help` menu; produce warnings for ignored parameters ([#397](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/397)) +- **docs**: adjust the docs for how to use the wfengine file dumped by `texts session` ([#397](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/397)) +- **amml**: adapt calculator parameters due to task ([#274](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/274)) +- **grammar**: remove variable tuple from grammar, interpreter, examples, tests, and docs ([#379](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/379)) +- **cli**: sort model history by time stamps ([#368](https://gitlab.kit.edu/kit/virtmat-tools/vre-language/-/issues/368)) + ## [0.5.4] - 2024-11-28 ### Added diff --git a/setup.cfg b/setup.cfg index 18d6ecee3d3d07a4596503551ff21f1afaa5bb69..9d82e7982015942b851dc4c90b42783a80a1c881 100644 --- a/setup.cfg +++ b/setup.cfg @@ -1,6 +1,6 @@ [metadata] name = vre-language -version = 0.5.4 +version = 0.5.5 author = The Virtmat Tools Team author_email = virtmat-tools@lists.kit.edu description = VRE Language