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Releases: materialsproject/reaction-network

v8.1.0

13 Nov 23:23
ae321f4
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Version 8.1.0

Commits

  • [ae321f4] Merge pull request #279 from materialsproject/pydantic2
  • [5d70c67] linting correction
  • [04f4c4e] fix broken test
  • [5bd90f0] clean-up docs
  • [54c6704] enforce pydantic<2.5
  • [2b2c5ff] rerun tests
  • [ab0b326] patch for github workflow while mp-api broken
  • [80fbb50] fix broken entry job
  • [280f46f] attempt to fix typing problem
  • [2528947] fix broken tests
  • [41344f6] Update CITATION.bib with new paper
  • [8795739] more linting (mypy)
  • [7b93a61] linting
  • [1ac4f91] implement ruff pt 2
  • [53df69e] Implement ruff
  • [cc42794] add DB access script
  • [ed295a2] python=3.8 dropped (not ready for python=3.12 yet)
  • [21065dc] Drop support for python=3.8 due to dependencies (i.e., pymatgen)
  • [7505cef] fix broken pathway plotting
  • [2b8b0f2] add Optional
  • [7d66129] update deps
  • [af769d8] Merge pull request #278 from materialsproject/update_notebooks
  • [10e0036] Update networks NB
  • [8521772] Updated CHANGELOG.md

v8.0.4

11 Oct 20:56
8b72e0d
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Version 8.0.4

Commits

  • [8b72e0d] Merge pull request #277 from materialsproject/entry_id-bug-fix
  • [211f5ed] Merge pull request #276 from materialsproject/comp-bug-fix
  • [32c3e3b] Add default entry_id creation and better docs
  • [0daf280] fix Gibbs entry bug when initializing with Species
  • [bb93f39] Updated CHANGELOG.md

v8.0.3

01 Sep 19:39
4be8a4c
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Version 8.0.3

Commits

  • [4be8a4c] Merge pull request #273 from materialsproject/dev
  • [b3f0b0f] fix broken doc release
  • [e790580] get rid of changelog in action
  • [33527dd] fix broken symlink

v8.0.2

01 Sep 16:49
fcc5cd9
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Version 8.0.2

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v8.0.1

01 Sep 16:49
fcc5cd9
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Version 8.0.1

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v8.0.0

01 Sep 06:54
8b79b4f
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Version 8.0.0

Commits

  • [8b79b4f] Merge pull request #271 from materialsproject/dev
  • [91ae7ea] fix release
  • [e0aebaa] Merge remote-tracking branch 'origin/main' into dev
  • [b32133c] fix token problem
  • [11961d5] Update README.md
  • [a15cc28] Merge pull request #270 from materialsproject/dev
  • [5a00836] fix broken notebooks sphinx
  • [cb99ebc] possible pydantic issue fix
  • [f9f45f3] update python ver
  • [08cbff4] update github actions for docs
  • [ec2d2fa] switch to sphinx for docs
  • [ef29b05] upgrade python version
  • [d5ba742] linting
  • [5ab1387] fix jobflow dependency
  • [ff74791] fix merge
  • [e55584a] Merge remote-tracking branch 'origin/main' into dev
  • [0b756a0] clean up tests
  • [adf5f71] update README and dependencies
  • [1032dd0] Update network NB
  • [34be2ca] update demo NB 1
  • [686c5b8] add some tests, improve coverage profiling
  • [498cb22] fix broken tests
  • [346e543] fix strange typing bug with inheritance
  • [9ada46c] clean up enumerator method signatures
  • [f3770e0] Fix enumerator docstrings
  • [5a40774] clean up docs yaml
  • [7d26abe] cleaning up docs and typing pt 4 (network, flows, jobs)
  • [c342b46] cleaning up docs and typing pt 3 (mostly pathways, network)
  • [fc050ff] cleaning up docs and typing pt 2 (mostly enum, reactions, thermo)
  • [01b3b71] cleaning up docs and typing pt 1
  • [fd1f91d] update docs
  • [8c050c8] lots of cleanup, parallel testing, fix math.isclose bug, old tests
  • [5f68d3d] updating docstrings pt1
  • [9329e53] finish cleaning base/core
  • [a7d671f] move base classes into base files
  • [09be500] remove builders (they were unused)
  • [234b8e6] Merge remote-tracking branch 'origin/dev' into dev
  • [0efcfca] add option for custom entries
  • [d3f6098] Update README.md for new org
  • [6e7b796] Update README.md for new org
  • [5fa9f5b] Delete dependabot.yml
  • [f17cb1f] Delete dependabot.yml
  • [89ca65c] Change name of synthesis planning flow
  • [308840d] improve some broken tests
  • [28a49a7] shift code around, update dependencies
  • [473c0fb] Merge pull request #254 from GENESIS-EFRC/improv/change-rxn-set
  • [e66ad69] add tests for new reaction set methods
  • [4237833] Add methods for setting open element and temp on reaction set
  • [736acc3] default include nist data True
  • [b034947] test commit

v7.0.1

07 Feb 23:33
4968728
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Version 7.0.1

Commits

  • [4968728] Merge pull request #221 from GENESIS-EFRC/fix_release
  • [603c291] dummy commit
  • [714d1d5] Merge remote-tracking branch 'upstream/main' into fix_release
  • [f20624e] Merge pull request #220 from GENESIS-EFRC/fix_release
  • [2230d36] Fix broken badge on README.md
  • [1bf3f0c] fix bug with prospector downgrading
  • [adab94c] change order of installation prospector, fix typing bug
  • [0c05125] fix no implicit optional (new mypy bug)
  • [b26ddfa] run black
  • [e48b950] fix broken linting
  • [be76016] Merge pull request #218 from R1j1t/bug/missingDataFile
  • [3d57717] fixed the file path
  • [296eab7] added data file in pip package
  • [c74d28b] update reqs and fix broken python-requires option
  • [85e72b8] Merge pull request #189 from GENESIS-EFRC/dependabot/pip/mkdocs-1.4.2
  • [1d79629] Merge pull request #187 from GENESIS-EFRC/dependabot/pip/pymatgen-2022.11.1
  • [8568238] Bump mkdocs from 1.4.0 to 1.4.2
  • [bba6de7] Bump pymatgen from 2022.10.22 to 2022.11.1
  • [afce1fd] Merge pull request #184 from GENESIS-EFRC/dependabot/pip/pymatgen-2022.10.22
  • [fceb204] Bump pymatgen from 2022.09.21 to 2022.10.22
  • [934cc10] Updated CHANGELOG.md

v7.0.0

27 Oct 19:07
e64a82b
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Version 7.0.0

Commits

  • [e64a82b] Merge pull request #176 from GENESIS-EFRC/nci-hackathon
  • [d334e00] update README to reflect new rustworkx
  • [8c94544] update docs for rx
  • [ae53870] update demo NBs
  • [7406aec] Fix serialization of reaction network
  • [21df4a4] first attempt at fixing problems with serialization
  • [6fbda68] remove pytest xvfb
  • [483b22a] implement gh caching for other workflows
  • [0452806] fix warning and try caching
  • [5f4c53e] fix broken github action for caching and python version
  • [2033864] fix broken docs from gt removal
  • [82261f0] add caching to github action
  • [f59300b] Merge remote-tracking branch 'upstream/nci-hackathon' into nci-hackathon
  • [1895bc8] fix typing errors
  • [b77e202] Merge branch 'main' into nci-hackathon
  • [2cd4018] Merge pull request #175 from GENESIS-EFRC/rustworkx
  • [c41d417] linting
  • [26d295f] adjust reqs and github actions
  • [3593131] Add serialization support for ReactionNetwork
  • [79288a0] fix network visualization for rustworkx
  • [8ebdae2] fix yen's algorithm problem
  • [b026a37] finish implementation of rustworkx
  • [da80136] add precursors/target support for rustworkx
  • [fe57f82] Updated CHANGELOG.md

v6.1.1

25 Oct 20:28
76980c6
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Version 6.1.1

Commits

  • [76980c6] Merge pull request #174 from GENESIS-EFRC/new_version
  • [c38bccf] fix broken docs github workflow
  • [a69f73e] Updated CHANGELOG.md

v6.1.0

25 Oct 20:10
d2b1246
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Version 6.1.0

Commits

  • [d2b1246] Merge pull request #173 from GENESIS-EFRC/new_version
  • [65682b9] hopefully fix broken release workflow