From 5e78c88d1336af31345d0cfb667fbbe650bf1ba9 Mon Sep 17 00:00:00 2001 From: Colton Hicks Date: Thu, 13 Jun 2024 18:11:02 -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 e4357e5..0c2c004 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] +## [0.7.2] - 2024-06-13 + ### Changed - Updated to `qcio 0.9.3` which properly registers all concrete classes of `ProgramOutput[InputType, ResultsType` on `output.py` module for celery serializers. @@ -238,7 +240,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), - Initial release of core BigQC feature set. Tasks for `compute` (single point energy, gradient, hessian, and properties calculations) and `compute_procedure` (geometry optimization routine). Algorithms for distributed hessian and normal mode analysis with their associated tasks. -[unreleased]: https://github.com/mtzgroup/bigchem/compare/0.7.1...HEAD +[unreleased]: https://github.com/mtzgroup/bigchem/compare/0.7.2...HEAD +[0.7.2]: https://github.com/mtzgroup/bigchem/releases/tag/0.7.2 [0.7.1]: https://github.com/mtzgroup/bigchem/releases/tag/0.7.1 [0.7.0]: https://github.com/mtzgroup/bigchem/releases/tag/0.7.0 [0.6.9]: https://github.com/mtzgroup/bigchem/releases/tag/0.6.9 diff --git a/pyproject.toml b/pyproject.toml index f5b93c1..53aef4f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [tool.poetry] name = "bigchem" -version = "0.7.1" +version = "0.7.2" description = "A distributed system for scaling and parallelizing quantum chemistry calculations" authors = ["Colton Hicks "] readme = "README.md"