From a973a4042b87282abee5ebe4dcd04ebf299cae89 Mon Sep 17 00:00:00 2001 From: Colton Hicks Date: Wed, 10 Jul 2024 18:51:46 -0700 Subject: [PATCH] Updated CHANGELOG. Bumped version. --- CHANGELOG.md | 5 ++++- pyproject.toml | 2 +- 2 files changed, 5 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 4e5b6f2..89d61f8 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,6 +6,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), ## [unreleased] +## [0.6.0] - 2024-06-10 + ### Changed - Updated to `qcio 0.10.0` to use new `Structure` rather than `Molecule` nomenclature. @@ -106,7 +108,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), - Can return either `AtomicResult` or `FailedOperation` objects depending on whether calculation succeeded or failed. - Tests for all parsers and the main `parse` function. -[unreleased]: https://github.com/coltonbh/qcparse/compare/0.5.3...HEAD +[unreleased]: https://github.com/coltonbh/qcparse/compare/0.6.0...HEAD +[0.6.0]: https://github.com/coltonbh/qcparse/releases/tag/0.6.0 [0.5.3]: https://github.com/coltonbh/qcparse/releases/tag/0.5.3 [0.5.2]: https://github.com/coltonbh/qcparse/releases/tag/0.5.2 [0.5.1]: https://github.com/coltonbh/qcparse/releases/tag/0.5.1 diff --git a/pyproject.toml b/pyproject.toml index 8acffff..1748538 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [tool.poetry] name = "qcparse" -version = "0.5.3" +version = "0.6.0" description = "A package for parsing Quantum Chemistry program file outputs into structured qcio data objects." authors = ["Colton Hicks "] license = "MIT"