From 403c4676e745511acf1f2da80efcc719a0da8381 Mon Sep 17 00:00:00 2001 From: Janosh Riebesell Date: Mon, 15 Jul 2024 14:52:48 -0400 Subject: [PATCH] v1.2.0 --- .pre-commit-config.yaml | 8 ++++---- changelog.md | 18 +++++++++++++++++- pyproject.toml | 2 +- 3 files changed, 22 insertions(+), 6 deletions(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 0acca060..36cd00c1 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -8,7 +8,7 @@ default_install_hook_types: [pre-commit, commit-msg] repos: - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.5.1 + rev: v0.5.2 hooks: - id: ruff args: [--fix] @@ -57,7 +57,7 @@ repos: exclude: ^(site/src/figs/.+\.svelte|data/wbm/20.+\..+|site/src/(routes|figs).+\.(yaml|json)|changelog.md)$ - repo: https://github.com/pre-commit/mirrors-eslint - rev: v9.6.0 + rev: v9.7.0 hooks: - id: eslint types: [file] @@ -71,7 +71,7 @@ repos: - typescript-eslint - repo: https://github.com/python-jsonschema/check-jsonschema - rev: 0.28.6 + rev: 0.29.0 hooks: - id: check-jsonschema files: ^models/(.+)/\1.*\.yml$ @@ -79,7 +79,7 @@ repos: - id: check-github-actions - repo: https://github.com/RobertCraigie/pyright-python - rev: v1.1.370 + rev: v1.1.371 hooks: - id: pyright args: [--level, error] diff --git a/changelog.md b/changelog.md index 35c52ae0..877eb9b2 100644 --- a/changelog.md +++ b/changelog.md @@ -2,9 +2,25 @@ All notable changes to this project will be documented in this file. Dates are displayed in UTC. +#### [v1.2.0](https://github.com/janosh/matbench-discovery/compare/v1.1.2...v1.2.0) + +> 15 July 2024 + +- add SevenNet to Matbench Discovery leaderboard [`#112`](https://github.com/janosh/matbench-discovery/pull/112) +- Update mace description [`#113`](https://github.com/janosh/matbench-discovery/pull/113) +- Add new `/models/mace` page with formation energy and raw energy parity plots [`#111`](https://github.com/janosh/matbench-discovery/pull/111) +- Migrate `Key` enum to use `pymatviz.enums.Key` [`#110`](https://github.com/janosh/matbench-discovery/pull/110) +- Add MatterSim predictions [`#104`](https://github.com/janosh/matbench-discovery/pull/104) +- fix: CHGNet MPTrj training set now published and widely used. [`#107`](https://github.com/janosh/matbench-discovery/pull/107) +- Fix `figs/e-form-parity-models` showing convex hull distance instead of formation energy R² in subplot titles [`#106`](https://github.com/janosh/matbench-discovery/pull/106) +- fix: changes to wrenformer test script [`#105`](https://github.com/janosh/matbench-discovery/pull/105) +- refactor eda_mp_trj.py using pymatviz.plot_histogram [`b10e608`](https://github.com/janosh/matbench-discovery/commit/b10e608f5c0d3bec6f77097dcd84e5e2f11b4a58) +- make slurm_submit() time and account optional [`604cb04`](https://github.com/janosh/matbench-discovery/commit/604cb049d96548631e3493d357ecff93bdad79a3) +- fix dead links [`02b2657`](https://github.com/janosh/matbench-discovery/commit/02b2657cbb9feb810e8fce621c0eb5597816dd34) + #### [v1.1.2](https://github.com/janosh/matbench-discovery/compare/v1.1.1...v1.1.2) -> 15 May 2024 +> 30 May 2024 - Add `pyright` pre-commit hook and fix possibly unbound variables [`#93`](https://github.com/janosh/matbench-discovery/pull/93) - Fix landing page vs model page metrics mismatch [`#92`](https://github.com/janosh/matbench-discovery/pull/92) diff --git a/pyproject.toml b/pyproject.toml index 12bd752d..123b663e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [project] name = "matbench-discovery" -version = "1.1.2" +version = "1.2.0" description = "A benchmark for machine learning energy models on inorganic crystal stability prediction from unrelaxed structures" authors = [{ name = "Janosh Riebesell", email = "janosh.riebesell@gmail.com" }] readme = "readme.md"