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hackingmaterials / automatminer

An automatic engine for predicting materials properties.
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Bump pymatgen from 2020.01.28 to 2021.2.16 #369

Closed dependabot-preview[bot] closed 3 years ago

dependabot-preview[bot] commented 3 years ago

Bumps pymatgen from 2020.01.28 to 2021.2.16.

Release notes

Sourced from pymatgen's releases.

v2021.2.16

  • Add a new interface to OPTIMADE-compliant APIs in pymatgen.ext.optimade (@mkhorton, #2066)
  • Addresses missing text file, all_cg.txt, in package
  • Note that a previous released increased the suggested minimum numpy version and suggested minimum Python version

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

... (truncated)

Changelog

Sourced from pymatgen's changelog.

v2021.2.16

  • Add a new interface to OPTIMADE-compliant APIs in pymatgen.ext.optimade (@mkhorton, #2066)
  • Addresses missing text file, all_cg.txt, in package
  • Note that a previous released increased the suggested minimum numpy version and suggested minimum Python version
  • Previous release also dropped support for aconvasp since this the interface has not been maintained

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

... (truncated)

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dependabot-preview[bot] commented 3 years ago

Superseded by #374.