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Releases: materialsproject/reaction-network

v8.0.2

01 Sep 16:49
@mattmcdermott mattmcdermott
v8.0.2
fcc5cd9
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v8.0.2

Version 8.0.2

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v8.0.1

01 Sep 16:49
@mattmcdermott mattmcdermott
v8.0.1
fcc5cd9
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v8.0.1

Version 8.0.1

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v8.0.0

01 Sep 06:54
@mattmcdermott mattmcdermott
v8.0.0
8b79b4f
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v8.0.0

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
Assets 2
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v7.0.1

07 Feb 23:33
@mattmcdermott mattmcdermott
v7.0.1
4968728
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v7.0.1

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
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v7.0.0

27 Oct 19:07
@mattmcdermott mattmcdermott
v7.0.0
e64a82b
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v7.0.0

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
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v6.1.1

25 Oct 20:28
@mattmcdermott mattmcdermott
v6.1.1
76980c6
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v6.1.1

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
Assets 2
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v6.1.0

25 Oct 20:10
@mattmcdermott mattmcdermott
v6.1.0
d2b1246
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v6.1.0

Version 6.1.0

Commits

  • [d2b1246] Merge pull request #173 from GENESIS-EFRC/new_version
  • [65682b9] hopefully fix broken release workflow
Assets 2
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v6.0.1

25 Oct 19:42
@mattmcdermott mattmcdermott
v6.0.1
0827a9b
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v6.0.1

Version 6.0.1

Commits

  • [0827a9b] Merge pull request #172 from GENESIS-EFRC/new_version
  • [4a2f36d] trigger new version release
Assets 2
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v6.0.0

25 Oct 19:29
@mattmcdermott mattmcdermott
v6.0.0
427b5c8
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v6.0.0

Version 6.0.0

Commits

  • [427b5c8] Merge pull request #171 from GENESIS-EFRC/new_version
  • [db11796] test commit for new release
  • [0342aad] test commit for new release
  • [b78e88d] clean up post-process
  • [665026e] fix github pypi release workflow
  • [b4a6110] fix docstring
  • [9baca90] Merge pull request #170 from GENESIS-EFRC/mattmcdermott-patch-1
  • [26fd14e] Update README with better description
  • [3992520] Update README shields
  • [f961789] Merge pull request #169 from GENESIS-EFRC/version_update
  • [0e3bf31] cleanup for release pt2
  • [5f404a2] cleanup pt 1
  • [2e12308] fix broken pathway solver test
  • [36877e5] add support for network store
  • [842572b] make sure formulas are included in network flow
  • [3f0ae1b] linting, fix broken test
  • [3782ec1] update network NB, fix bug in pathway solver
  • [906745f] update enumerators NB
  • [aa1a235] move files
  • [8648b0f] fix broken tests
  • [fa10bf4] run black
  • [07f45ea] change name of GibbsEntrySet.from_computed_entries
  • [4a319f9] switch to tol per atom
  • [5502c54] change default interpolated entry tolerance
  • [46b6ccc] adjust interpolated entry repr
  • [2e954f9] add hash for interpolated entry
  • [9493811] improve eq methods
  • [9e8f2b6] better error handling for cpd
  • [4405297] fix bug in test
  • [96f45a5] fix bug in interpolated entry init
  • [edf7734] add back in tqdm disable
  • [8a67c8a] clean up conftest
  • [878fe73] change logging to debug
  • [1c42390] add further secondary selectivity calcs
  • [e76b21e] run black
  • [279f2c6] improve chunking / batch sizes
  • [e368f52] add type for metastable domains
  • [ab61191] deleting whitespace
  • [be9d3d1] fix strange problem in applying carbonate corrections
  • [35c81be] add simple builder schema tests
  • [93d57c5] fix linting bugs
  • [e7bb2a6] run black
  • [3100ec0] fix typo in plotly express
  • [cb561fe] fix linting
  • [b71e898] update README badges and add support for gtk during tests
  • [d9ba723] add MP API key secret
  • [265cc04] update docs with refactor of code
  • [e4112cd] update reqs for docs
  • [18fb48f] format with black
  • [75c9455] test new github workflow scheme
Assets 2
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v5.1.0

26 May 21:39
@mattmcdermott mattmcdermott
v5.1.0
f85a827
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v5.1.0

Version 5.1.0

Commits

  • [f85a827] Merge pull request #133 from GENESIS-EFRC/dev
  • [7c6b045] fix setup
  • [08c1872] fix broken github action
  • [a5b3f58] update docs
  • [bcfec1b] linting
  • [34ed235] update reqs and README
  • [bec2bd0] add support for turning off enumeration parallelization
  • [4d77ca0] update reqs (still waiting on the new numba)
  • [79e2a03] fix broken monty for new carbonate correction & change default limit
  • [28d95fc] update carbonate jupyter NB
  • [883ed66] Add carbonate correction and jupyter NB with fitting function
  • [5a6c844] add get_new_temperature to reaction
  • [6d7a008] update competition name, thermodynamic data README
  • [c7c8ca4] Merge remote-tracking branch 'upstream/main' into dev
  • [ba0c969] better dataframe handling, adjusted default c_score scale
  • [56a9d3d] Bump mkdocs-material from 8.2.8 to 8.2.12
  • [df66d9d] Bump pymdown-extensions from 9.3 to 9.4
  • [699ecb3] fix interpolated entry hashing bug
  • [a6fb4db] add support for target formulas in competition score
  • [bf58b2d] Bump numpy from 1.22.2 to 1.22.3
  • [7d66294] Bump mkdocstrings from 0.18.0 to 0.18.1
  • [72821b2] Bump mkdocs-material from 8.2.3 to 8.2.8
  • [31729e3] Bump pymdown-extensions from 9.2 to 9.3
  • [b7de74d] Bump mypy from 0.931 to 0.942
  • [2def7e3] Bump maggma from 0.41.0 to 0.44.1
  • [632bf41] Bump mkdocs-autorefs from 0.3.1 to 0.4.1
  • [9c6c3cb] Bump mkdocs-jupyter from 0.20.0 to 0.20.1
  • [1562be1] Bump mkdocs-section-index from 0.3.3 to 0.3.4
  • [548361d] Bump pymatgen from 2022.2.10 to 2022.3.29
  • [2abf372] Updated CHANGELOG.md
  • [f90d10b] Bump pytest from 7.0.1 to 7.1.1
Assets 2
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