search

hackingmaterials / automatminer

An automatic engine for predicting materials properties.
Other
138 stars 51 forks source link

Bump pymatgen from 2020.01.28 to 2021.2.14 #367

Closed dependabot-preview[bot] closed 3 years ago

dependabot-preview[bot] commented 3 years ago

Bumps pymatgen from 2020.01.28 to 2021.2.14.

Release notes

Sourced from pymatgen's releases.

v2021.2.14

  • Misc bug fixes.

v2021.2.13

  • Misc bug fixes.

v2021.2.12

  • Misc bug fixes.

v2021.2.8

  • Addition of new job types to Q-Chem IO (@espottesmith, #2055), note metal_edge_extender has been moved into local_env for this change
  • Improvements to string utils, new Stringify mixin with to_pretty_string(), to_latex_string(), to_unicode_string(), to_html_string() (@shyuep)
  • Improvements to build system (@shyuep, @ltalirz, see #2046)
  • Entry is now immutable, removing "in_place" option for normalize (@mkhorton, @mattmcdermott, #2060)
  • Bug fix for co-ordination geometry finder (@davidwaroquiers, #2035)
  • Bug fix for GibbsComputedStructureEntry (@mattmcdermott)

v2021.1.28

v2020.12.31

  • End of 2020 release with minor bug fixes for cli scripts.

v2020.12.18

  • New IsayevNN nearest-neighbor algorithm (@utf, #2011)
  • Improvements to electrode objects (@jmmshn, #2016)
  • Improvements to Element and PhaseDiagram (@jmmshn, #2005)
  • Bug fix to increase minimum version of setuptools which was causing incompatible versions of numpy to be installed for some users (@shyuep, see issue #2010)
  • Bug fix to VASP run type detection (@rkingsbury, #2007)

v2020.12.3

v2020.11.11

  • Bug fix for PhononBandStructureSymmLine. (@gpetretto)
  • Improved robustness in ABINIT input generation. (@gpetretto)
  • Other minor bug fixes.

... (truncated)

Changelog

Sourced from pymatgen's changelog.

v2021.2.14

  • Misc bug fixes.

v2021.2.12

  • Misc bug fixes.

v2021.2.8.1

  • Patch release to restore CompositionError to preserve backwards compatibility.

v2021.2.8

  • Addition of new job types to Q-Chem IO (@espottesmith, #2055), note metal_edge_extender has been moved into local_env for this change
  • Improvements to string utils, new Stringify mixin with to_pretty_string(), to_latex_string(), to_unicode_string(), to_html_string() (@shyuep)
  • Improvements to build system (@shyuep, @ltalirz, see #2046)
  • Entry is now immutable, removing "in_place" option for normalize (@mkhorton, @mattmcdermott, #2060)
  • Bug fix for co-ordination geometry finder (@davidwaroquiers, #2035)
  • Bug fix for GibbsComputedStructureEntry (@mattmcdermott)

v2021.1.28

v2020.12.31

  • End of 2020 release with minor bug fixes for cli scripts.

v2020.12.18

  • New IsayevNN nearest-neighbor algorithm (@utf, #2011)
  • Improvements to electrode objects (@jmmshn, #2016)
  • Improvements to Element and PhaseDiagram (@jmmshn, #2005)
  • Bug fix to increase minimum version of setuptools which was causing incompatible versions of numpy to be installed for some users (@shyuep, see issue #2010)
  • Bug fix to VASP run type detection (@rkingsbury, #2007)

... (truncated)

Commits


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 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) - `@dependabot use these labels` will set the current labels as the default for future PRs for this repo and language - `@dependabot use these reviewers` will set the current reviewers as the default for future PRs for this repo and language - `@dependabot use these assignees` will set the current assignees as the default for future PRs for this repo and language - `@dependabot use this milestone` will set the current milestone as the default for future PRs for this repo and language - `@dependabot badge me` will comment on this PR with code to add a "Dependabot enabled" badge to your readme Additionally, you can set the following in your Dependabot [dashboard](https://app.dependabot.com): - Update frequency (including time of day and day of week) - Pull request limits (per update run and/or open at any time) - Automerge options (never/patch/minor, and dev/runtime dependencies) - Out-of-range updates (receive only lockfile updates, if desired) - Security updates (receive only security updates, if desired)
dependabot-preview[bot] commented 3 years ago

Superseded by #369.