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materialsvirtuallab / megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
BSD 3-Clause "New" or "Revised" License
502 stars 156 forks source link

Bump pymatgen from 2022.0.16 to 2022.1.9 #326

Closed dependabot[bot] closed 2 years ago

dependabot[bot] commented 2 years ago

Bumps pymatgen from 2022.0.16 to 2022.1.9.

Release notes

Sourced from pymatgen's releases.

v2022.01.09

  • Formal support for Python 3.10.
  • Misc refactoring and bug fixes. No new functionality.

v2022.01.08

No release notes provided.

v2022.0.17

Welcome to new contributor @​e-kwsm!

Improvements

Fixes

Documentation

Changelog

Sourced from pymatgen's changelog.

v2022.1.9

  • Formal support for Python 3.10.
  • Misc refactoring and bug fixes. No new functionality.

v2022.1.8

  • First proper new release of 2022 formalizes the switch back to date-based versioning introduced as a temporary measure last year.
  • Numpy version pinned to 1.22.0. This is necessary to avoid binary incompatibility.
  • With the numpy version, py37 support is dropped.
  • ASE io improvements (e.g., magnetic moments and selective dynamics transfer). @​arosen93
  • New automatic k-point generation scheme, automatic_density_by_lengths, which allows the user to specify a density of k-points in each dimension (rather than just for the entire volume). @​arosen93
  • Build improvements to dynamically generate C code by running Cython on pyx files rather than having hard-generated .c files.

v2022.0.17

Welcome to new contributor @​e-kwsm!

Commits
  • 01afe46 Update docs
  • fb4ea20 Refactor the whole unnecessary PBar, which is basically a wrapper around
  • 22dc89c Reenable ext package tests.
  • fccb656 Unittest skip for lack of h5py.
  • 38fb1fc Minor update to doc.
  • 539a9d1 Remove useless build_ext import.
  • 01c1130 Add py3.10 to release workflow. Fix setup.py
  • b61b27e Fix some code regression.
  • f14c1e5 Pin some dev reqs
  • 4072322 Remove typing extensions since we are dropping Py37 support
  • Additional commits viewable in compare view


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dependabot[bot] commented 2 years ago

Looks like pymatgen is up-to-date now, so this is no longer needed.