Skip to content

Bump matgl from 1.2.7 to 2.0.6#474

Open
dependabot[bot] wants to merge 1 commit intomainfrom
dependabot/pip/matgl-2.0.6
Open

Bump matgl from 1.2.7 to 2.0.6#474
dependabot[bot] wants to merge 1 commit intomainfrom
dependabot/pip/matgl-2.0.6

Conversation

@dependabot
Copy link
Contributor

@dependabot dependabot bot commented on behalf of github Feb 3, 2026

Bumps matgl from 1.2.7 to 2.0.6.

Release notes

Sourced from matgl's releases.

v2.0.6

  • Bug fix for CHGnet loading.

v2.0.5

  • Improved error messages for backend/model mismatch. Try to transparently handle simple situations.

v2.0.4

  • Bug fix for matgl.graph.data and matgl.graph.converter imports for different backends.

v2.0.3

  • Bug fix for matgl.ext.pymatgen import for different backends.

v2.0.2

  • QET (Charge-Equilibrated TensorNet) architecture and pre-trained weights are added!
  • Begun a migration to Pytorch-Geometric over the now-deprecated DGL. So far, only vanilla TensorNet has been implemented in PYG). DGL models still work but require a manual setup (change of backend and installation of DGL).

v2.0.1

  • QET (Charge-Equilibrated TensorNet) architecture and pre-trained weights are added!
  • Begun a migration to Pytorch-Geometric over the now-deprecated DGL. So far, only vanilla TensorNet has been implemented in PYG). DGL models still work but require a manual setup (change of backend and installation of DGL).

v2.0.0

  • QET (Charge-Equilibrated TensorNet) architecture and pre-trained weights are added!
  • Begun a migration to Pytorch-Geometric over the now-deprecated DGL. So far, only vanilla TensorNet has been implemented in PYG). DGL models still work but require a manual setup (change of backend and installation of DGL).

v1.3.0

This release includes pretrained molecular potentials and implements the preliminary PyG framework for future development.

What's Changed

... (truncated)

Changelog

Sourced from matgl's changelog.

2.0.6

  • Bug fix for CHGnet loading.

2.0.5

  • Improved error messages for backend/model mismatch. Try to transparently handle simple situations.

2.0.4

  • Bug fix for matgl.graph.data and matgl.graph.converter imports for different backends.

2.0.3

  • Bug fix for matgl.ext.pymatgen import for different backends.

2.0.2

  • QET (Charge-Equilibrated TensorNet) architecture and pre-trained weights are added!
  • Begun a migration to Pytorch-Geometric over the now-deprecated DGL. So far, only vanilla TensorNet has been implemented in PYG). DGL models still work but require a manual setup (change of backend and installation of DGL).
Commits
  • 6f1bd77 Update version and changelog.
  • 38d0f7c Merge branch 'main' of github.com:materialsvirtuallab/matgl
  • 8cd5bc6 Fix loading of chgnet models. Add test.
  • cc1dcdd Update the PES model version for QET and also update Torch<=2.8.0 (#698)
  • c6c9f71 Handle QET backend. Add warning messages when changing backends.
  • 1d3cbc0 Updated changlog.
  • 41fd72c Better error message and improved backend handling for legacy models.
  • e9cde22 pre-commit autoupdate (#695)
  • d1a67f7 Update lightning requirement from <=2.6.0.dev20251123 to <=2.6.0 (#692)
  • 2f5710d Add Na-B-H potential (#693)
  • Additional commits viewable in compare view

Dependabot compatibility score

Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting @dependabot rebase.


Dependabot commands and options

You can trigger Dependabot actions by commenting on this PR:

  • @dependabot rebase will rebase this PR
  • @dependabot recreate will recreate this PR, overwriting any edits that have been made to it
  • @dependabot merge will merge this PR after your CI passes on it
  • @dependabot squash and merge will squash and merge this PR after your CI passes on it
  • @dependabot cancel merge will cancel a previously requested merge and block automerging
  • @dependabot reopen will reopen this PR if it is closed
  • @dependabot close will close this PR and stop Dependabot recreating it. You can achieve the same result by closing it manually
  • @dependabot show <dependency name> ignore conditions will show all of the ignore conditions of the specified dependency
  • @dependabot ignore this major version will close this PR and stop Dependabot creating any more for this major version (unless you reopen the PR or upgrade to it yourself)
  • @dependabot ignore this minor version will close this PR and stop Dependabot creating any more for this minor version (unless you reopen the PR or upgrade to it yourself)
  • @dependabot ignore this dependency will close this PR and stop Dependabot creating any more for this dependency (unless you reopen the PR or upgrade to it yourself)

Bumps [matgl](https://github.com/materialsvirtuallab/matgl) from 1.2.7 to 2.0.6.
- [Release notes](https://github.com/materialsvirtuallab/matgl/releases)
- [Changelog](https://github.com/materialyzeai/matgl/blob/main/changes.md)
- [Commits](materialyzeai/matgl@v1.2.7...v2.0.6)

---
updated-dependencies:
- dependency-name: matgl
  dependency-version: 2.0.6
  dependency-type: direct:production
  update-type: version-update:semver-major
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels Feb 3, 2026
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

dependencies Pull requests that update a dependency file python Pull requests that update python code

Projects

None yet

Development

Successfully merging this pull request may close these issues.

0 participants