From b8ea75c4c7778103fa3052e7af0271148af7b069 Mon Sep 17 00:00:00 2001 From: "J. George" Date: Thu, 28 Nov 2024 13:31:43 +0100 Subject: [PATCH] new version (#274) * Update pyproject.toml * Update CHANGELOG.md --- CHANGELOG.md | 19 +++++++++++++++++++ pyproject.toml | 2 +- 2 files changed, 20 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index afcbac02b..7f6313183 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,4 +1,23 @@ # Changelog +## v0.0.8 +### What's Changed +* Update devcontainer.json version tag by @JaGeo in https://github.com/autoatml/autoplex/pull/253 +* Fix recursive autoupdate durations by @naik-aakash in https://github.com/autoatml/autoplex/pull/255 +* Fix MLIP related issues with the benchmark results file by @QuantumChemist in https://github.com/autoatml/autoplex/pull/243 +* ignore type checking block by @naik-aakash in https://github.com/autoatml/autoplex/pull/256 +* Bump autodoc-pydantic from 2.0.1 to 2.2.0 by @dependabot in https://github.com/autoatml/autoplex/pull/260 +* Make sure that supercell_matrices of single-atom-displaced and rattled supercells are the same per default by @QuantumChemist in https://github.com/autoatml/autoplex/pull/258 +* Update test durations file by @JaGeo in https://github.com/autoatml/autoplex/pull/265 +* remove redundant else case by @naik-aakash in https://github.com/autoatml/autoplex/pull/266 +* Updated Documentation for Autoplex, Including RSS Features by @YuanbinLiu in https://github.com/autoatml/autoplex/pull/226 +* Bump mace-torch from 0.3.7 to 0.3.8 by @dependabot in https://github.com/autoatml/autoplex/pull/261 +* Bump numpydoc from 1.6.0 to 1.8.0 by @dependabot in https://github.com/autoatml/autoplex/pull/268 +* Bump lightning-utilities from 0.11.2 to 0.11.9 by @dependabot in https://github.com/autoatml/autoplex/pull/269 +* Implement error handling for fit error metrics plots by @QuantumChemist in https://github.com/autoatml/autoplex/pull/272 +* Raise informative errors on missing non-python dependencies when invoked by @naik-aakash in https://github.com/autoatml/autoplex/pull/273 + +**Full Changelog**: https://github.com/autoatml/autoplex/compare/v0.0.7...v0.0.8 + ## v0.0.7 ### What's Changed * Clean up pyproject.toml to enable a strict/non-strict installation procedure by @JaGeo in https://github.com/autoatml/autoplex/pull/242 diff --git a/pyproject.toml b/pyproject.toml index a967e5213..4c8160769 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -12,7 +12,7 @@ readme = "README.md" keywords = ["high-throughput", "automated", "mlpotential"] license = { text = "GPL-3.0 license" } authors = [{ name = "Janine George", email = "janine.george@bam.de" }] -version = "0.0.7" +version = "0.0.8" classifiers = [ "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.10",