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@mattmcdermott mattmcdermott released this 01 Oct 01:01
v3.0.0
f718861
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Learn about vigilant mode.

Version 3.0.0

Commits

  • [f718861] Merge pull request #45 from GENESIS-EFRC/matt-tests
  • [c721e5d] run black
  • [e61bf98] fix linting
  • [96e5d2b] clean up gh actions
  • [a6e0b18] Add more docstrings
  • [b2c1b84] fix broken test
  • [f913781] finish minimize enumerator tests
  • [48d77f3] run black and make BasicOpenEnumerator faster
  • [9612ed3] finish major part of enumerator refactor
  • [81af4ea] further refactoring of enumerators
  • [1e43776] fix linting errors, work on refactor of enumerators
  • [f938564] try this order with default
  • [f42bd96] fix hyphen
  • [4fbd9d1] combine run
  • [c7c0c38] try with conda run
  • [8070dc5] fix typo
  • [bef16ff] and one more one more time
  • [d86fb71] one more time with activation
  • [3250f2d] try it again with miniconda
  • [11b03b4] add test import
  • [36eff4b] add print statement
  • [176676c] try again
  • [e82cc53] trying to fix bug again
  • [dbd4773] fix bug in docs
  • [eadc9e4] bump python version
  • [6a5c0fa] change installation order
  • [f4b5495] add graph-tool to docs workflow
  • [d80e201] update pymatgen req
  • [1ad5c86] fix mkdocs
  • [56502bb] fix req
  • [df2215a] Merge remote-tracking branch 'upstream/matt-tests' into matt-tests
  • [d0d8bf9] Merge branch 'main' into matt-tests
  • [6ed37c8] bump reqs
  • [1b3f9ce] Add docs files as well
  • [725b353] make tests simpler
  • [dc33ad8] add basic open enumerator fixtures
  • [2e3598a] add enumerator tests, run black
  • [f0f9d87] fix circular import
  • [95a2dea] fill in missing tests, update README
  • [9902291] add balance arrays test
  • [bfebbc1] Change pathway solver reaction initialization
  • [002874c] clean up enumeration code
  • [70f2ea5] clean up attr use
  • [bb97950] bug fix for OpenComputedReaction
  • [7cfea16] add computed rxn fixture
  • [e84ec08] add more tests for entries and reactions
  • [2a66a76] add tests for BasicReaction
  • [fe374ad] fix core docstrings
  • [52a565e] fix calculator kwargs
  • [72d60c6] Add test files, clean up test directory, clean class docstrings
  • [b84f16b] Bump numba from 0.53.1 to 0.54.0
  • [11b1022] Bump pytest from 6.2.1 to 6.2.5
  • [f7f754d] Bump graphistry from 0.19.2 to 0.20.1
  • [be883b2] Bump pydocstyle from 5.1.1 to 6.1.1
  • [bc23886] Bump pytest-cov from 2.11.0 to 2.12.1
  • [68f8806] Bump pymatgen from 2022.0.11 to 2022.0.12
  • [13695dc] Bump pre-commit from 2.9.3 to 2.14.1
  • [22ec0b8] Updated CHANGELOG.md
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