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resolve all quacc/prefect flow futures to data make prefect happy (#… #1

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Summary of Changes

Prefect3 now requires all jobs to be resolved before a flow exits. If you return a job that is still running, this causes warnings and problems.

Also, return futures/states is good in that you can avoid passing around data until it's needed, but annoying in that you may ended up with complex structures that have prefect futures embedded inside them.

This PR introduces a function resolve_futures_to_results modeled on the prefect function resolve_futures_to_states that will recursively crawl python collections and resolve any futures to their final results. This function is called on any results that are returned by a quacc flow so that they are properly resolved before the flow finishes.

Requirements

Example code

import time

from quacc import flow, job


@job
def slow_math():
    # An independent piece of work that might take a while
    time.sleep(2)
    return 5


@flow()
def math_flow():
    return slow_math()


@flow()
def double_flow():
    a = math_flow()
    b = math_flow()
    return a + b


math_flow()
double_flow()

Before these patches, prefect would throw warnings about how tasks were not being resolved within flows. After, each flow finishes cleanly.


Summary of Changes

>> Provide context and a description of your changes here. Make sure to reference any associated issues. <<

Requirements

Note: If you are an external contributor, you will see a comment from @buildbot-princeton. This is solely for the maintainers.

dependabot bot and others added 30 commits September 17, 2024 14:58
…rs#2465)

Bumps [parsl[monitoring]](https://github.com/Parsl/parsl) from 2024.9.2
to 2024.9.16.
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/Parsl/parsl/commit/dd9150d7ac26b04eb8ff15247b1c18ce9893f79c"><code>dd9150d</code></a>
Remove broken CI status badge from README (<a
href="https://redirect.github.com/Parsl/parsl/issues/3614">#3614</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/9491fbb6685e81fbb6b4e7b291868f1c96d2a3f8"><code>9491fbb</code></a>
Removal of 'task_block' parameter from several launcher's docstring (<a
href="https://redirect.github.com/Parsl/parsl/issues/3613">#3613</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/dc7911fd58f1f8d0e2c56dc42103adad22c6e97d"><code>dc7911f</code></a>
TaskVineExecutor: write function data to temp directory (<a
href="https://redirect.github.com/Parsl/parsl/issues/3592">#3592</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/a3ba87a2a8f0be263ba26a4b06137242d8c3de4f"><code>a3ba87a</code></a>
Test parsl+slurm in CI (<a
href="https://redirect.github.com/Parsl/parsl/issues/3606">#3606</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/3a256deff0547da8e9338e5e52017033b14480cc"><code>3a256de</code></a>
Remove deprecated max_worker (<a
href="https://redirect.github.com/Parsl/parsl/issues/3605">#3605</a>)</li>
<li>See full diff in <a
href="https://github.com/Parsl/parsl/compare/2024.09.02...2024.09.16">compare
view</a></li>
</ul>
</details>
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Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bumps [prefect[dask]](https://github.com/PrefectHQ/prefect) from 3.0.1
to 3.0.2.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/PrefectHQ/prefect/releases">prefect[dask]'s
releases</a>.</em></p>
<blockquote>
<h2>3.0.2: Groundlog day, tomorrow finally came</h2>
<h2>3.0.2:</h2>
<h3>New Features 🎉</h3>
<ul>
<li>Add a ResumeFlowRun automations action by <a
href="https://github.com/abrookins"><code>@​abrookins</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15269">PrefectHQ/prefect#15269</a></li>
</ul>
<h3>Enhancements ➕➕</h3>
<ul>
<li>Notification security controls by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15272">PrefectHQ/prefect#15272</a></li>
<li>Create <code>FilesystemLockManager</code> by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15307">PrefectHQ/prefect#15307</a></li>
<li>Concurrency limit UX enhancements: add <code>strict</code> mode by
<a href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15297">PrefectHQ/prefect#15297</a></li>
<li>Make <code>prefect_test_harness</code> startup timeout configurable
by <a href="https://github.com/desertaxle"><code>@​desertaxle</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15354">PrefectHQ/prefect#15354</a></li>
<li>Fix deployment-concurrency-limiting-GCL lifecycle management by <a
href="https://github.com/collincchoy"><code>@​collincchoy</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15365">PrefectHQ/prefect#15365</a></li>
<li><code>Runner</code> enforces
<code>Deployment.concurrency_limit</code> by <a
href="https://github.com/jeanluciano"><code>@​jeanluciano</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15085">PrefectHQ/prefect#15085</a></li>
<li>Disable HTTP2 by default by <a
href="https://github.com/zangell44"><code>@​zangell44</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15311">PrefectHQ/prefect#15311</a></li>
</ul>
<h3>Bug Fixes 🐞</h3>
<ul>
<li>Move expensive filter to AND by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15286">PrefectHQ/prefect#15286</a></li>
<li>Fix deep merge for existing <code>env</code> on work-pools by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15325">PrefectHQ/prefect#15325</a></li>
<li>Ensure all tags are used in concurrency limiter by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15349">PrefectHQ/prefect#15349</a></li>
<li>Set propagate to false for extra loggers by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15348">PrefectHQ/prefect#15348</a></li>
<li>Allow child transactions to access parent values set after child
transaction opens by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15342">PrefectHQ/prefect#15342</a></li>
<li>Fix resolution of implicit relative import when using
<code>safe_load_namespace</code> by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15358">PrefectHQ/prefect#15358</a></li>
<li>Correctly handles recurring automations and future events by <a
href="https://github.com/chrisguidry"><code>@​chrisguidry</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15355">PrefectHQ/prefect#15355</a></li>
</ul>
<h3>Integrations &amp; Dependencies 🤝</h3>
<ul>
<li>reintroduce job model for <code>prefect-databricks</code> by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15313">PrefectHQ/prefect#15313</a></li>
<li>Update <code>DbtCoreOperation</code> docstring by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15317">PrefectHQ/prefect#15317</a></li>
<li>Move import from <code>google</code> into import guard by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15334">PrefectHQ/prefect#15334</a></li>
<li>fix <code>S3Bucket.download_object_to_path</code> by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15293">PrefectHQ/prefect#15293</a></li>
<li>Fix issue where <code>DaskTaskRunner</code> was attempting to create
a duplicate cluster by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15341">PrefectHQ/prefect#15341</a></li>
</ul>
<h3>Development &amp; Tidiness 🧹</h3>
<ul>
<li>Add dedicated enhancements section by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15265">PrefectHQ/prefect#15265</a></li>
<li>Fix labeler job by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15114">PrefectHQ/prefect#15114</a></li>
<li>Update <code>@​prefecthq/prefect-ui-library</code> to version 3.8.2
by <a
href="https://github.com/marvin-robot"><code>@​marvin-robot</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15283">PrefectHQ/prefect#15283</a></li>
<li>Refactor some concurrency utilities to be sync_compatible by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15273">PrefectHQ/prefect#15273</a></li>
<li>Add some more nuance to labeler by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15288">PrefectHQ/prefect#15288</a></li>
<li>Use <code>ResultStore</code> by default for task transactions by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15264">PrefectHQ/prefect#15264</a></li>
<li>Update <code>@​prefecthq/prefect-ui-library</code> to version 3.8.3
by <a
href="https://github.com/marvin-robot"><code>@​marvin-robot</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15305">PrefectHQ/prefect#15305</a></li>
<li>Remove feature flag for nested task runs on the run graph by <a
href="https://github.com/pleek91"><code>@​pleek91</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15304">PrefectHQ/prefect#15304</a></li>
<li>Add deprecation warnings to all <code>RecordStore</code>
implementations by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15314">PrefectHQ/prefect#15314</a></li>
<li>Remove some ancient deprecations by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15310">PrefectHQ/prefect#15310</a></li>
<li>Update <code>@​prefecthq/prefect-ui-library</code> to version 3.9.1
by <a
href="https://github.com/marvin-robot"><code>@​marvin-robot</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15335">PrefectHQ/prefect#15335</a></li>
<li>Replace <code>RedisRecordStore</code> with
<code>RedisLockManager</code> by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15320">PrefectHQ/prefect#15320</a></li>
<li>Add deprecation warnings to results classes and methods by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15323">PrefectHQ/prefect#15323</a></li>
<li>Update <code>@​prefecthq/prefect-ui-library</code> to version 3.9.2
by <a
href="https://github.com/marvin-robot"><code>@​marvin-robot</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15346">PrefectHQ/prefect#15346</a></li>
<li>Update <code>@​prefecthq/prefect-ui-library</code> to version 3.9.4
by <a
href="https://github.com/marvin-robot"><code>@​marvin-robot</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15356">PrefectHQ/prefect#15356</a></li>
<li>Bump vue from 3.4.38 to 3.5.4 in /ui by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15306">PrefectHQ/prefect#15306</a></li>
<li>Bump <code>@​vitejs/plugin-vue</code> from 5.1.2 to 5.1.3 in /ui by
<a href="https://github.com/dependabot"><code>@​dependabot</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15173">PrefectHQ/prefect#15173</a></li>
<li>Bump vue-tsc from 2.0.29 to 2.1.6 in /ui by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15281">PrefectHQ/prefect#15281</a></li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
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<li><a
href="https://github.com/PrefectHQ/prefect/commit/c846de02f02a5bd01d55b0fa72bfe6cad59d6ccb"><code>c846de0</code></a>
Bump vue-tsc from 2.0.29 to 2.1.6 in /ui (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15281">#15281</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/64d0a29a20ac0c0b3f7df7b4b3f8274b65274122"><code>64d0a29</code></a>
Bump <code>@​vitejs/plugin-vue</code> from 5.1.2 to 5.1.3 in /ui (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15173">#15173</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/a1b3a93542816f1ba3475a6fb9d545ca2d9c2578"><code>a1b3a93</code></a>
Bump vue from 3.4.38 to 3.5.4 in /ui (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15306">#15306</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/072b04212b2fe4286aeaca13d658c0f80acb11e3"><code>072b042</code></a>
Fix deployment-concurrency-limiting-GCL lifecycle management (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15365">#15365</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/c75ee81aa74fddac4d78f5f09d299b431b541366"><code>c75ee81</code></a>
Update <code>@​prefecthq/prefect-ui-library</code> to version 3.9.4 (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15356">#15356</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/164d52e82476d7fb75459c2e8af82f8e0f1305c1"><code>164d52e</code></a>
Fix broken image link and update formatting in prefect-dbt (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15367">#15367</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/cd89a015c8c3ba2e0f9a3fa988206b5b54a88739"><code>cd89a01</code></a>
fix: move the github conditional to the appropriate level (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15366">#15366</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/244ebf2023d4a9a076435916bf810319071768d1"><code>244ebf2</code></a>
Correctly handles recurring automations and future events (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15355">#15355</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/d83da4ce33b1e238463cefe8eb71f9d1461478af"><code>d83da4c</code></a>
quote type checked value (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15362">#15362</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/7b68d4847c984eb783d9ddfa50bba2acc41605fd"><code>7b68d48</code></a>
Update logging.mdx to fix title display (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15360">#15360</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/PrefectHQ/prefect/compare/3.0.1...3.0.2">compare
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Bumps [pydantic-settings](https://github.com/pydantic/pydantic-settings)
from 2.4.0 to 2.5.2.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/pydantic/pydantic-settings/releases">pydantic-settings's
releases</a>.</em></p>
<blockquote>
<h2>v2.5.2</h2>
<h2>What's Changed</h2>
<ul>
<li>Second fix for the TypeError bug introduced in 2.5 by <a
href="https://github.com/hramezani"><code>@​hramezani</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/396">pydantic/pydantic-settings#396</a></li>
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<p><strong>Full Changelog</strong>: <a
href="https://github.com/pydantic/pydantic-settings/compare/v2.5.1...v2.5.2">https://github.com/pydantic/pydantic-settings/compare/v2.5.1...v2.5.2</a></p>
<h2>v2.5.1</h2>
<h2>What's Changed</h2>
<ul>
<li>Fix TypeError introduced in 2.5 by <a
href="https://github.com/hramezani"><code>@​hramezani</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/392">pydantic/pydantic-settings#392</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/pydantic/pydantic-settings/compare/v2.5.0...v2.5.1">https://github.com/pydantic/pydantic-settings/compare/v2.5.0...v2.5.1</a></p>
<h2>v2.5.0</h2>
<h2>What's Changed</h2>
<ul>
<li>Fix a bug in nested vanila dataclass by <a
href="https://github.com/hramezani"><code>@​hramezani</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/357">pydantic/pydantic-settings#357</a></li>
<li>CLI Improve Docstring Help Text by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/359">pydantic/pydantic-settings#359</a></li>
<li>Cli fix default or none object help text by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/364">pydantic/pydantic-settings#364</a></li>
<li>Determine RootModel complexity from root type by <a
href="https://github.com/user1584"><code>@​user1584</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/344">pydantic/pydantic-settings#344</a></li>
<li>Add CLI bool flags by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/365">pydantic/pydantic-settings#365</a></li>
<li>CLI arg list whitespaces fix. by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/369">pydantic/pydantic-settings#369</a></li>
<li>Add <code>nested_model_default_partial_update</code> flag and
<code>DefaultSettingsSource</code> by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/348">pydantic/pydantic-settings#348</a></li>
<li>Parse enum fixes. by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/367">pydantic/pydantic-settings#367</a></li>
<li>Fixes CLI help text for function types by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/370">pydantic/pydantic-settings#370</a></li>
<li>Add get_subcommand function. by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/341">pydantic/pydantic-settings#341</a></li>
<li>Cli prefix validation alias fix by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/375">pydantic/pydantic-settings#375</a></li>
<li>CLI ignore external parser list fix by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/379">pydantic/pydantic-settings#379</a></li>
<li>Enable multiple secrets dirs by <a
href="https://github.com/makukha"><code>@​makukha</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/372">pydantic/pydantic-settings#372</a></li>
<li>Add CLI subcommand union and alias support by <a
href="https://github.com/kschwab"><code>@​kschwab</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/380">pydantic/pydantic-settings#380</a></li>
<li>Fix dotenv settings source problem in handling extra variables with
same prefix in name by <a
href="https://github.com/hramezani"><code>@​hramezani</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/386">pydantic/pydantic-settings#386</a></li>
</ul>
<h2>New Contributors</h2>
<ul>
<li><a href="https://github.com/user1584"><code>@​user1584</code></a>
made their first contribution in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/344">pydantic/pydantic-settings#344</a></li>
<li><a href="https://github.com/makukha"><code>@​makukha</code></a> made
their first contribution in <a
href="https://redirect.github.com/pydantic/pydantic-settings/pull/372">pydantic/pydantic-settings#372</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/pydantic/pydantic-settings/compare/v2.4.0...v2.5.0">https://github.com/pydantic/pydantic-settings/compare/v2.4.0...v2.5.0</a></p>
</blockquote>
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<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/79090e2bfb11f05591405036ce52f2264467b26f"><code>79090e2</code></a>
Prepare release 2.5.2 (<a
href="https://redirect.github.com/pydantic/pydantic-settings/issues/397">#397</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/81d7c468aa45a2c0da7d032a6a344f174bc83fd7"><code>81d7c46</code></a>
Second fix for the TypeError bug introduced in 2.5 (<a
href="https://redirect.github.com/pydantic/pydantic-settings/issues/396">#396</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/b2c0ee2389d824b93745ffed8c0c562800942347"><code>b2c0ee2</code></a>
Prepare release 2.5.1 (<a
href="https://redirect.github.com/pydantic/pydantic-settings/issues/393">#393</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/3eff625d352d9c971d1f351767e25a08351c3ebb"><code>3eff625</code></a>
Fix TypeError introduced in 2.5 (<a
href="https://redirect.github.com/pydantic/pydantic-settings/issues/392">#392</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/7353e5b36949649e1cd08fb03fafc9584a9b9380"><code>7353e5b</code></a>
Prepare release 2.5.0 (<a
href="https://redirect.github.com/pydantic/pydantic-settings/issues/388">#388</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/6ae24e51139707ffb7ca37f54464538b7b4de64f"><code>6ae24e5</code></a>
Update pydantic to &gt; 2.9.0 (<a
href="https://redirect.github.com/pydantic/pydantic-settings/issues/387">#387</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/287cb22f2f2ed43e7d6ef0e1b6277886257751ba"><code>287cb22</code></a>
Fix dotenv settings source problem in handling extra variables with same
pref...</li>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/a9eb22e4f4f6bb71b92783550b6db18b41eb805e"><code>a9eb22e</code></a>
Add CLI subcommand union and alias support (<a
href="https://redirect.github.com/pydantic/pydantic-settings/issues/380">#380</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/12d85cf521bf2b07939241bf33f17d14d906623f"><code>12d85cf</code></a>
Enable multiple secrets dirs (<a
href="https://redirect.github.com/pydantic/pydantic-settings/issues/372">#372</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic-settings/commit/94f3a90950f4dd9d574b047e7c2cff30ee3b456d"><code>94f3a90</code></a>
CLI ignore external parser list fix (<a
href="https://redirect.github.com/pydantic/pydantic-settings/issues/379">#379</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/pydantic/pydantic-settings/compare/v2.4.0...v2.5.2">compare
view</a></li>
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Bumps [dask[distributed]](https://github.com/dask/dask) from 2024.8.2 to
2024.9.0.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/dask/dask/releases">dask[distributed]'s
releases</a>.</em></p>
<blockquote>
<h2>2024.9.0</h2>
<h2>Changes</h2>
<ul>
<li>Revert &quot;Improve normalize_chunks calculation for
&quot;auto&quot; setting&quot; <a
href="https://github.com/jrbourbeau"><code>@​jrbourbeau</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11385">#11385</a>)</li>
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<li>Add a Task class to replace tuples for task specification <a
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href="https://redirect.github.com/dask/dask/issues/11248">#11248</a>)</li>
<li>Reduce overhead in tokenize <a
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<li>Improve normalize_chunks calculation for &quot;auto&quot; setting <a
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href="https://redirect.github.com/dask/dask/issues/11354">#11354</a>)</li>
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<li>Move <code>tokenize</code> to dedicated submodule <a
href="https://github.com/fjetter"><code>@​fjetter</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11371">#11371</a>)</li>
<li>Ensure process_runnables is not too eager in the presence of
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href="https://redirect.github.com/dask/dask/issues/11367">#11367</a>)</li>
<li>Use <code>np.min\_scalar\_type</code> in shuffle <a
href="https://github.com/jrbourbeau"><code>@​jrbourbeau</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11369">#11369</a>)</li>
<li>Write indexing arrays into dask graph to reduce size for multiple
xarray variables <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11362">#11362</a>)</li>
<li>Cast indexer to minimal dtype in shuffle <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11364">#11364</a>)</li>
<li>Reduce memory usage of dask.order <a
href="https://github.com/fjetter"><code>@​fjetter</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11361">#11361</a>)</li>
<li>Bump JamesIves/github-pages-deploy-action from 4.6.3 to 4.6.4 <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11366">#11366</a>)</li>
<li>precommit autoupdate <a
href="https://github.com/fjetter"><code>@​fjetter</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11360">#11360</a>)</li>
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<p>See the <a
href="https://docs.dask.org/en/stable/changelog.html">Changelog</a> for
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</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/dask/dask/commit/ae250c9ac88a9b3ad2efef602bc42ac288a6e8ab"><code>ae250c9</code></a>
bump version to 2024.9.0</li>
<li><a
href="https://github.com/dask/dask/commit/89189546ac7f2695b34edf2318ab65f693343da7"><code>8918954</code></a>
Revert &quot;Improve normalize_chunks calculation for &quot;auto&quot;
setting&quot; (<a
href="https://redirect.github.com/dask/dask/issues/11385">#11385</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/18124a50a981de5049d689a0acbbc91a62c2a2c3"><code>18124a5</code></a>
Bump peter-evans/create-pull-request from 6 to 7 (<a
href="https://redirect.github.com/dask/dask/issues/11380">#11380</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/863a049c0d46b9f8742bbadaab6ad851ccbb97ec"><code>863a049</code></a>
Add a Task class to replace tuples for task specification (<a
href="https://redirect.github.com/dask/dask/issues/11248">#11248</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/a6d0bdc36e96d58e7551bb53cc13af0a871c54aa"><code>a6d0bdc</code></a>
Reduce overhead in tokenize (<a
href="https://redirect.github.com/dask/dask/issues/11373">#11373</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/247ad0019f5d37fd7a15373072aa7e55942877ad"><code>247ad00</code></a>
Improve normalize_chunks calculation for &quot;auto&quot; setting (<a
href="https://redirect.github.com/dask/dask/issues/11354">#11354</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/a7468260ed42bf174476a6dd5576a43c1f2358ff"><code>a746826</code></a>
Bump <code>bokeh</code> minimum version to 3.1.0 (<a
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<li><a
href="https://github.com/dask/dask/commit/31d57d34c1c72c551200355a738bf6cf1b1aed78"><code>31d57d3</code></a>
Move <code>tokenize</code> to dedicated submodule (<a
href="https://redirect.github.com/dask/dask/issues/11371">#11371</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/4be4880bce4cca6374c5dc90534c1117e20e406f"><code>4be4880</code></a>
Ensure process_runnables is not too eager in the presence of multiple
splits ...</li>
<li><a
href="https://github.com/dask/dask/commit/0bf3075b6e84624c796435a30978778a6ac94dee"><code>0bf3075</code></a>
Use <code>np.min_scalar_type</code> in shuffle (<a
href="https://redirect.github.com/dask/dask/issues/11369">#11369</a>)</li>
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Bumps [phonopy](https://github.com/phonopy/phonopy) from 2.27.0 to
2.28.0.
<details>
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<p><em>Sourced from <a
href="https://github.com/phonopy/phonopy/blob/develop/doc/changelog.md">phonopy's
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<li><a
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Merge branch 'develop'</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/6aafd9ce78a0f90528bca6ffdc94ffb188b95665"><code>6aafd9c</code></a>
Merge pull request <a
href="https://redirect.github.com/phonopy/phonopy/issues/424">#424</a>
from phonopy/release</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/4be79b4bc70bdee649b631ac55ad540ba659bc70"><code>4be79b4</code></a>
Set version 2.28.0</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/7e45094a17e35cc3c551da763b1830abfa32276a"><code>7e45094</code></a>
Merge branch 'develop' of github.com:phonopy/phonopy into develop</li>
<li><a
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Simplify get_dot_access_dataset</li>
<li><a
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Merge pull request <a
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Minor fix of documentation</li>
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Merge pull request <a
href="https://redirect.github.com/phonopy/phonopy/issues/421">#421</a>
from phonopy/pypolymlp</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/e59ebdb8aa7e785ca384418a839cfedb8261e29a"><code>e59ebdb</code></a>
Implement pypolymlp CUI interface</li>
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</details>

Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from
2024.7.18 to 2024.9.17.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/pymatgen/releases">pymatgen's
releases</a>.</em></p>
<blockquote>
<h2>v2024.9.17</h2>
<ul>
<li>Emergency release to fix broken phase diagram plotting due to
completely unnecessary refactoring. (Thanks <a
href="https://github.com/yang-ruoxi"><code>@​yang-ruoxi</code></a> for
fixing.)</li>
</ul>
<h2>v2024.9.10</h2>
<p>💥 <strong>Breaking</strong>: NumPy/Cython integer type changed from
<code>np.long</code>/<code>np.int_</code> to int64 on Windows to align
with NumPy 2.x, <a
href="https://numpy.org/doc/stable/release/2.0.0-notes.html">changing
the default integer type to int64 on Windows 64-bit systems</a> in favor
of the platform-dependent <code>np.int_</code> type.
Recommendation: Please explicitly declare <code>dtype=np.int64</code>
when initializing a NumPy array if it's passed to a Cythonized pymatgen
function like <code>find_points_in_spheres</code>. You may also want to
test downstream packages with <a
href="https://numpy.org/devdocs/dev/depending_on_numpy.html#build-time-dependency">NumPy
1.x on Windows in CI pipelines</a>.</p>
<h3>🛠 Enhancements</h3>
<ul>
<li>Formatting customization for <code>PWInput</code> by <a
href="https://github.com/jsukpark"><code>@​jsukpark</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4001">materialsproject/pymatgen#4001</a></li>
<li>DOS Fingerprints enhancements by <a
href="https://github.com/naik-aakash"><code>@​naik-aakash</code></a> in
<a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3946">materialsproject/pymatgen#3946</a></li>
<li>Add HSE-specific vdW parameters for dftd3 and dftd3-bj to
MPHSERelaxSet. by <a
href="https://github.com/hongyi-zhao"><code>@​hongyi-zhao</code></a> in
<a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3955">materialsproject/pymatgen#3955</a></li>
<li>Add VASP setting for the dftd4 vdW functional and extend PBE_64
support. by <a
href="https://github.com/hongyi-zhao"><code>@​hongyi-zhao</code></a> in
<a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3967">materialsproject/pymatgen#3967</a></li>
<li>Add SOC &amp; multiple <code>PROCAR</code> parsing functionalities
by <a href="https://github.com/kavanase"><code>@​kavanase</code></a> in
<a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3890">materialsproject/pymatgen#3890</a></li>
<li>Add modification to aims input to match atomate2 magnetic order
script by <a
href="https://github.com/tpurcell90"><code>@​tpurcell90</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3878">materialsproject/pymatgen#3878</a></li>
</ul>
<h3>🐛 Bug Fixes</h3>
<ul>
<li>Ion: fix CO2- and I3- parsing errors; enhance tests by <a
href="https://github.com/rkingsbury"><code>@​rkingsbury</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3991">materialsproject/pymatgen#3991</a></li>
<li>Fix ruff PD901 and prefer <code>sum</code> over
<code>len</code>+<code>if</code> by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4012">materialsproject/pymatgen#4012</a></li>
<li>Explicitly use <code>int64</code> in Numpy/cython code to avoid OS
inconsistency by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3992">materialsproject/pymatgen#3992</a></li>
<li>Update <code>FermiDos.get_doping()</code> to be more robust by <a
href="https://github.com/kavanase"><code>@​kavanase</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3879">materialsproject/pymatgen#3879</a></li>
<li>Fix missing <code>/src</code> in doc links to source code by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4032">materialsproject/pymatgen#4032</a></li>
<li>Fix <code>LNONCOLLINEAR</code> match in <code>Outcar</code> parser
by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4034">materialsproject/pymatgen#4034</a></li>
<li>Fix in-place <code>VaspInput.incar</code> updates having no effect
if <code>incar</code> is dict (not <code>Incar</code> instance) by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4052">materialsproject/pymatgen#4052</a></li>
<li>Fix typo in <code>Cp2kOutput.parse_hirshfeld</code>
<code>add_site_property(&quot;hirshf[i-&gt;'']eld&quot;)</code> by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4055">materialsproject/pymatgen#4055</a></li>
<li>Fix <code>apply_operation(fractional=True)</code> by <a
href="https://github.com/kavanase"><code>@​kavanase</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4057">materialsproject/pymatgen#4057</a></li>
</ul>
<h3>💥 Breaking Changes</h3>
<ul>
<li>Pascal-case <code>PMG_VASP_PSP_DIR_Error</code> by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4048">materialsproject/pymatgen#4048</a></li>
</ul>
<h3>📖 Documentation</h3>
<ul>
<li>Docstring tweaks for <code>io.vasp.inputs</code> and format tweaks
for some other parts by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3996">materialsproject/pymatgen#3996</a></li>
<li>Replace HTTP URLs with HTTPS, avoid <code>from pytest import
raises/mark</code> by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4021">materialsproject/pymatgen#4021</a></li>
<li>Fix incorrect attribute name in <code>Lobster.outputs.Cohpcar</code>
docstring by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4039">materialsproject/pymatgen#4039</a></li>
</ul>
<h3>🧹 House-Keeping</h3>
<ul>
<li>Use <code>strict=True</code> with <code>zip</code> to ensure length
equality by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4011">materialsproject/pymatgen#4011</a></li>
</ul>
<h3>🚀 Performance</h3>
<ul>
<li>add LRU cache to structure matcher by <a
href="https://github.com/kbuma"><code>@​kbuma</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4036">materialsproject/pymatgen#4036</a></li>
</ul>
<h3>🚧 CI</h3>
<ul>
<li>Install optional boltztrap, vampire and openbabel in CI by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3985">materialsproject/pymatgen#3985</a></li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md">pymatgen's
changelog</a>.</em></p>
<blockquote>
<h2>v2024.9.17</h2>
<ul>
<li>Emergency release to fix broken phase diagram plotting due to
completely unnecessary refactoring. (Thanks <a
href="https://github.com/yang-ruoxi"><code>@​yang-ruoxi</code></a> for
fixing.)</li>
</ul>
<h2>v2024.9.10</h2>
<p>💥 <strong>Breaking</strong>: NumPy/Cython integer type changed from
<code>np.long</code>/<code>np.int_</code> to int64 on Windows to align
with NumPy 2.x, <a
href="https://numpy.org/doc/stable/release/2.0.0-notes.html">changing
the default integer type to int64 on Windows 64-bit systems</a> in favor
of the platform-dependent <code>np.int_</code> type.
Recommendation: Please explicitly declare <code>dtype=np.int64</code>
when initializing a NumPy array if it's passed to a Cythonized pymatgen
function like <code>find_points_in_spheres</code>. You may also want to
test downstream packages with <a
href="https://numpy.org/devdocs/dev/depending_on_numpy.html#build-time-dependency">NumPy
1.x on Windows in CI pipelines</a>.</p>
<h3>🛠 Enhancements</h3>
<ul>
<li>Formatting customization for <code>PWInput</code> by <a
href="https://github.com/jsukpark"><code>@​jsukpark</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4001">materialsproject/pymatgen#4001</a></li>
<li>DOS Fingerprints enhancements by <a
href="https://github.com/naik-aakash"><code>@​naik-aakash</code></a> in
<a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3946">materialsproject/pymatgen#3946</a></li>
<li>Add HSE-specific vdW parameters for dftd3 and dftd3-bj to
MPHSERelaxSet. by <a
href="https://github.com/hongyi-zhao"><code>@​hongyi-zhao</code></a> in
<a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3955">materialsproject/pymatgen#3955</a></li>
<li>Add VASP setting for the dftd4 vdW functional and extend PBE_64
support. by <a
href="https://github.com/hongyi-zhao"><code>@​hongyi-zhao</code></a> in
<a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3967">materialsproject/pymatgen#3967</a></li>
<li>Add SOC &amp; multiple <code>PROCAR</code> parsing functionalities
by <a href="https://github.com/kavanase"><code>@​kavanase</code></a> in
<a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3890">materialsproject/pymatgen#3890</a></li>
<li>Add modification to aims input to match atomate2 magnetic order
script by <a
href="https://github.com/tpurcell90"><code>@​tpurcell90</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3878">materialsproject/pymatgen#3878</a></li>
</ul>
<h3>🐛 Bug Fixes</h3>
<ul>
<li>Ion: fix CO2- and I3- parsing errors; enhance tests by <a
href="https://github.com/rkingsbury"><code>@​rkingsbury</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3991">materialsproject/pymatgen#3991</a></li>
<li>Fix ruff PD901 and prefer <code>sum</code> over
<code>len</code>+<code>if</code> by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4012">materialsproject/pymatgen#4012</a></li>
<li>Explicitly use <code>int64</code> in Numpy/cython code to avoid OS
inconsistency by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3992">materialsproject/pymatgen#3992</a></li>
<li>Update <code>FermiDos.get_doping()</code> to be more robust by <a
href="https://github.com/kavanase"><code>@​kavanase</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3879">materialsproject/pymatgen#3879</a></li>
<li>Fix missing <code>/src</code> in doc links to source code by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4032">materialsproject/pymatgen#4032</a></li>
<li>Fix <code>LNONCOLLINEAR</code> match in <code>Outcar</code> parser
by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4034">materialsproject/pymatgen#4034</a></li>
<li>Fix in-place <code>VaspInput.incar</code> updates having no effect
if <code>incar</code> is dict (not <code>Incar</code> instance) by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4052">materialsproject/pymatgen#4052</a></li>
<li>Fix typo in <code>Cp2kOutput.parse_hirshfeld</code>
<code>add_site_property(&quot;hirshf[i-&gt;'']eld&quot;)</code> by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4055">materialsproject/pymatgen#4055</a></li>
<li>Fix <code>apply_operation(fractional=True)</code> by <a
href="https://github.com/kavanase"><code>@​kavanase</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4057">materialsproject/pymatgen#4057</a></li>
</ul>
<h3>💥 Breaking Changes</h3>
<ul>
<li>Pascal-case <code>PMG_VASP_PSP_DIR_Error</code> by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4048">materialsproject/pymatgen#4048</a></li>
</ul>
<h3>📖 Documentation</h3>
<ul>
<li>Docstring tweaks for <code>io.vasp.inputs</code> and format tweaks
for some other parts by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/3996">materialsproject/pymatgen#3996</a></li>
<li>Replace HTTP URLs with HTTPS, avoid <code>from pytest import
raises/mark</code> by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4021">materialsproject/pymatgen#4021</a></li>
<li>Fix incorrect attribute name in <code>Lobster.outputs.Cohpcar</code>
docstring by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4039">materialsproject/pymatgen#4039</a></li>
</ul>
<h3>🧹 House-Keeping</h3>
<ul>
<li>Use <code>strict=True</code> with <code>zip</code> to ensure length
equality by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4011">materialsproject/pymatgen#4011</a></li>
</ul>
<h3>🚀 Performance</h3>
<ul>
<li>add LRU cache to structure matcher by <a
href="https://github.com/kbuma"><code>@​kbuma</code></a> in <a
href="https://redirect.github.com/materialsproject/pymatgen/pull/4036">materialsproject/pymatgen#4036</a></li>
</ul>
<h3>🚧 CI</h3>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/150f816c55be80dd146cb20ebbf5f930633c8aeb"><code>150f816</code></a>
Update docs</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/b373410ed1f18fca6c229f684917dbec3ea991dd"><code>b373410</code></a>
Updated changelog.</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/96b3284d45301d6484896fae744e4ad20bac166c"><code>96b3284</code></a>
fix phase diagram break from 41e6d99 (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4070">#4070</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/ebfc7a0a87d1d50d36e4b0564261392a17cbbe83"><code>ebfc7a0</code></a>
improve and test PmgVaspPspDirError msg in
PotcarSingle.from_symbol_and_funct...</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/60464fd87e66b85a395b2e9d916812b406a24828"><code>60464fd</code></a>
Fix all <code>ruff</code> DOC202 (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4067">#4067</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/7743ac715cba914394c703194b4c581c9f4e88b8"><code>7743ac7</code></a>
(Not) Use <code>setup-uv</code> in CI tests workflow (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4063">#4063</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/6bb293896945106476d6676cb2b65550d791edb5"><code>6bb2938</code></a>
Fix <code>lll_reduce</code> for slab generation (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/3927">#3927</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/1ff1ba594960c2cc3c60839780d47ff8392ee65c"><code>1ff1ba5</code></a>
Use distinct names for artifacts (<a
href="https://redirect.github.com/materialsproject/pymatgen/issues/4059">#4059</a>)</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/48e7c984e7c981b395af43734b43d2b544ece43d"><code>48e7c98</code></a>
fix cibuildwheel: No build identifiers selected:
BuildSelector(build_config='...</li>
<li><a
href="https://github.com/materialsproject/pymatgen/commit/c469dd8ef412a99324bbfed297da67cd6f1e6a3a"><code>c469dd8</code></a>
update docs/CHANGES.md with notes for v2024.9.10 and v2024.8.9</li>
<li>Additional commits viewable in <a
href="https://github.com/materialsproject/pymatgen/compare/v2024.7.18...v2024.9.17">compare
view</a></li>
</ul>
</details>
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Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
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Bumps [chgnet](https://github.com/CederGroupHub/chgnet) from 0.3.8 to
0.4.0.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/CederGroupHub/chgnet/releases">chgnet's
releases</a>.</em></p>
<blockquote>
<h2>v0.4.0</h2>
<!-- raw HTML omitted -->
<h2>What's Changed</h2>
<h3>💥 Breaking Changes</h3>
<ul>
<li>Change default <code>CHGnet.load(check_cuda_mem: bool)</code> to
<code>False</code> by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/164">CederGroupHub/chgnet#164</a></li>
</ul>
<h3>🐛 Bug Fixes</h3>
<ul>
<li>Fix <code>KeyError: 'decay_fraction'</code> and <code>TypeError:
Object of type int64 is not JSON serializable</code> by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/169">CederGroupHub/chgnet#169</a></li>
<li>Fix missing <code>create_graph.c</code> in source distribution by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/201">CederGroupHub/chgnet#201</a></li>
<li>Remove reverse readline, test again NP1 and recover NumPy 1
dependency support by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/203">CederGroupHub/chgnet#203</a></li>
</ul>
<h3>🛠 Enhancements</h3>
<ul>
<li>Add <code>wandb</code> logging support to <code>Trainer</code> class
by <a href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/166">CederGroupHub/chgnet#166</a></li>
<li>Add keyword <code>wandb_log_freq: LogFreq = LogEachBatch</code> to
<code>Trainer.train()</code> by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/170">CederGroupHub/chgnet#170</a></li>
</ul>
<h3>📖 Documentation</h3>
<ul>
<li>Dispersion by <a
href="https://github.com/ajhoffman1229"><code>@​ajhoffman1229</code></a>
in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/192">CederGroupHub/chgnet#192</a></li>
</ul>
<h3>🧹 Linting</h3>
<ul>
<li><code>ruff</code> fixes by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/184">CederGroupHub/chgnet#184</a></li>
</ul>
<h3>🏷️ Static Typing</h3>
<ul>
<li>Use return type <code>typing_extensions.Self</code> for class
methods by <a href="https://github.com/janosh"><code>@​janosh</code></a>
in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/179">CederGroupHub/chgnet#179</a></li>
<li>Create py.typed by <a
href="https://github.com/Andrew-S-Rosen"><code>@​Andrew-S-Rosen</code></a>
in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/189">CederGroupHub/chgnet#189</a></li>
</ul>
<h3>🏥 Package Health</h3>
<ul>
<li>Support NumPy 2 by <a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/202">CederGroupHub/chgnet#202</a></li>
<li>Drop Python 3.9 support by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/204">CederGroupHub/chgnet#204</a></li>
</ul>
<h2>New Contributors</h2>
<ul>
<li><a
href="https://github.com/ajhoffman1229"><code>@​ajhoffman1229</code></a>
made their first contribution in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/192">CederGroupHub/chgnet#192</a></li>
<li><a
href="https://github.com/DanielYang59"><code>@​DanielYang59</code></a>
made their first contribution in <a
href="https://redirect.github.com/CederGroupHub/chgnet/pull/201">CederGroupHub/chgnet#201</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/CederGroupHub/chgnet/compare/v0.3.8...v0.4.0">https://github.com/CederGroupHub/chgnet/compare/v0.3.8...v0.4.0</a></p>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/4b0c56616034bf5e05aad8b917580a402b66122d"><code>4b0c566</code></a>
v0.4.0</li>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/bf87bf2e741e867a674f34778a1e4763bcbef99b"><code>bf87bf2</code></a>
Drop Python 3.9 support (<a
href="https://redirect.github.com/CederGroupHub/chgnet/issues/204">#204</a>)</li>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/cde8a76f23a828eca6b9254c782ed7d31d6f0411"><code>cde8a76</code></a>
Remove reverse readline, test again NP1 and recover NumPy 1 dependency
suppor...</li>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/11ff51384fef09bfab999e45b519410eb6fd2c12"><code>11ff513</code></a>
fixed typo</li>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/6619fc193a030a68c5027f4ba22a98de80c1a366"><code>6619fc1</code></a>
cleaned unused parameters in example</li>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/035abf226d231249f69dee92cb3c9559e8b74df4"><code>035abf2</code></a>
Support NumPy 2 (<a
href="https://redirect.github.com/CederGroupHub/chgnet/issues/202">#202</a>)</li>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/9281cf49cc844f03346f0a645ac68cf5ecab06ff"><code>9281cf4</code></a>
<code>ruff</code> fixes (<a
href="https://redirect.github.com/CederGroupHub/chgnet/issues/184">#184</a>)</li>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/fbfe69c5b4c1a6407e572d3aab4221efcd5a470f"><code>fbfe69c</code></a>
fix sdist (<a
href="https://redirect.github.com/CederGroupHub/chgnet/issues/201">#201</a>)</li>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/73d6096790bbb1e20d5f2e1e23119cca34e54483"><code>73d6096</code></a>
test.yml set fail-fast: false, fix some doc strings missing
Returns/Raises, c...</li>
<li><a
href="https://github.com/CederGroupHub/chgnet/commit/ce1f29c925a4dfd1ca6e12f420b5854152406a11"><code>ce1f29c</code></a>
fixed bug in dataset query</li>
<li>Additional commits viewable in <a
href="https://github.com/CederGroupHub/chgnet/compare/v0.3.8...v0.4.0">compare
view</a></li>
</ul>
</details>
<br />


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</details>

Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Co-authored-by: Andrew S. Rosen <[email protected]>
## Summary of Changes

This provides a small bug fix for the recent patch to how prefect flows
are handled. The prior methods only worked for sync flows.

### Requirements

- [x] My PR is focused on a [single feature addition or
bugfix](https://docs.github.com/en/pull-requests/collaborating-with-pull-requests/getting-started/best-practices-for-pull-requests#write-small-prs).
- [x] My PR has relevant, comprehensive [unit
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Note: If you are an external contributor, you will see a comment from
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---------

Co-authored-by: Andrew S. Rosen <[email protected]>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Bumps [emmet-core](https://github.com/materialsproject/emmet) from
0.83.6 to 0.84.2.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/emmet/releases">emmet-core's
releases</a>.</em></p>
<blockquote>
<h2>v0.84.2</h2>
<h2>What's Changed</h2>
<ul>
<li>Change pull_request to run_id in builder_meta by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1041">materialsproject/emmet#1041</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1043">materialsproject/emmet#1043</a></li>
<li>conditional check for existence of taskdoc.input.parameters in
MaterialsDoc by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1047">materialsproject/emmet#1047</a></li>
<li>MaterialsDoc - add early check for validity of tasks for better
error reporting by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1048">materialsproject/emmet#1048</a></li>
<li>Bump zipp from 3.10.0 to 3.19.1 in /docs by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1049">materialsproject/emmet#1049</a></li>
<li>Defect by <a
href="https://github.com/jmmshn"><code>@​jmmshn</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1056">materialsproject/emmet#1056</a></li>
<li>task validation test fix by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1058">materialsproject/emmet#1058</a></li>
<li>Mypy directives and type hinting for [Core, Builders, API] by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1057">materialsproject/emmet#1057</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1059">materialsproject/emmet#1059</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1061">materialsproject/emmet#1061</a></li>
<li>Bump peaceiris/actions-gh-pages from 3.9.0 to 4.0.0 by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/981">materialsproject/emmet#981</a></li>
<li>Bump werkzeug from 3.0.1 to 3.0.3 in /emmet-builders/requirements by
<a href="https://github.com/dependabot"><code>@​dependabot</code></a> in
<a
href="https://redirect.github.com/materialsproject/emmet/pull/1006">materialsproject/emmet#1006</a></li>
<li>Bump the pip group across 4 directories with 16 updates by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1063">materialsproject/emmet#1063</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1064">materialsproject/emmet#1064</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1066">materialsproject/emmet#1066</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1067">materialsproject/emmet#1067</a></li>
<li>incorrect type hint for run_id in builder_meta by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1068">materialsproject/emmet#1068</a></li>
<li>add dielectric + optical absorption coeff to CalculationOutput model
by <a href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in
<a
href="https://redirect.github.com/materialsproject/emmet/pull/1070">materialsproject/emmet#1070</a></li>
<li>make sure hubbards fields get added to entries for mats doc by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1072">materialsproject/emmet#1072</a></li>
<li>Bump the pip group across 2 directories with 1 update by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1071">materialsproject/emmet#1071</a></li>
<li>add checks for TaskDoc's <code>model_post_init</code> by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1074">materialsproject/emmet#1074</a></li>
<li>Further bug fix for legacy task documents with no
<code>calcs_reversed</code> field by <a
href="https://github.com/esoteric-ephemera"><code>@​esoteric-ephemera</code></a>
in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1075">materialsproject/emmet#1075</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1069">materialsproject/emmet#1069</a></li>
<li>uvicorn was moved into an optional import in maggma by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1077">materialsproject/emmet#1077</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1078">materialsproject/emmet#1078</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1079">materialsproject/emmet#1079</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1080">materialsproject/emmet#1080</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1082">materialsproject/emmet#1082</a></li>
<li>Bump cryptography from 42.0.4 to 43.0.1 in
/emmet-builders/requirements in the pip group across 1 directory by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1083">materialsproject/emmet#1083</a></li>
<li>Bump the pip group across 2 directories with 1 update by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1084">materialsproject/emmet#1084</a></li>
<li>add missing mypy directives for electronic structure by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1085">materialsproject/emmet#1085</a></li>
<li>[WIP] Large structural changes to MPcules by <a
href="https://github.com/espottesmith"><code>@​espottesmith</code></a>
in <a
href="https://redirect.github.com/materialsproject/emmet/pull/926">materialsproject/emmet#926</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1086">materialsproject/emmet#1086</a></li>
<li>fix logic bug in batch_id validatoin by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1091">materialsproject/emmet#1091</a></li>
<li>Refactor and small updates to OpenMM and OpenFF task documents by <a
href="https://github.com/orionarcher"><code>@​orionarcher</code></a> in
<a
href="https://redirect.github.com/materialsproject/emmet/pull/1087">materialsproject/emmet#1087</a></li>
<li>Qchem enums by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1092">materialsproject/emmet#1092</a></li>
<li>linting for qchem by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1093">materialsproject/emmet#1093</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1090">materialsproject/emmet#1090</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1096">materialsproject/emmet#1096</a></li>
<li>force dynamic enum generation for emmet-core by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1097">materialsproject/emmet#1097</a></li>
<li>Add convenience util func for generating robocrys descriptions by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1076">materialsproject/emmet#1076</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1100">materialsproject/emmet#1100</a></li>
<li>Generate enums in Github Actions by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1095">materialsproject/emmet#1095</a></li>
<li>Update enums actions by <a
href="https://github.com/tsmathis"><code>@​tsmathis</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1104">materialsproject/emmet#1104</a></li>
<li>Remove unnecessary indepencence checking by <a
href="https://github.com/mjwen"><code>@​mjwen</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/767">materialsproject/emmet#767</a></li>
<li>Replace | with Union in OpenMM flow by <a
href="https://github.com/orionarcher"><code>@​orionarcher</code></a> in
<a
href="https://redirect.github.com/materialsproject/emmet/pull/1103">materialsproject/emmet#1103</a></li>
<li>Reverting MPCules PR <a
href="https://redirect.github.com/materialsproject/emmet/issues/926">#926</a>
by <a href="https://github.com/tschaume"><code>@​tschaume</code></a> in
<a
href="https://redirect.github.com/materialsproject/emmet/pull/1106">materialsproject/emmet#1106</a></li>
<li>Automated dependency upgrades by <a
href="https://github.com/tschaume"><code>@​tschaume</code></a> in <a
href="https://redirect.github.com/materialsproject/emmet/pull/1107">materialsproject/emmet#1107</a></li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/emmet/blob/main/docs/CHANGELOG.md">emmet-core's
changelog</a>.</em></p>
<blockquote>
<h2><a
href="https://github.com/materialsproject/emmet/tree/v0.84.2">v0.84.2</a>
(2024-09-20)</h2>
<p><a
href="https://github.com/materialsproject/emmet/compare/v0.84.2rc10...v0.84.2">Full
Changelog</a></p>
<p><strong>Merged pull requests:</strong></p>
<ul>
<li>Change name of interchange_meta -&gt; mol_specs and add structure to
MDTaskDocument <a
href="https://redirect.github.com/materialsproject/emmet/pull/1110">#1110</a>
(<a href="https://github.com/orionarcher">orionarcher</a>)</li>
<li>Automated dependency upgrades <a
href="https://redirect.github.com/materialsproject/emmet/pull/1109">#1109</a>
(<a href="https://github.com/tschaume">tschaume</a>)</li>
</ul>
<h2><a
href="https://github.com/materialsproject/emmet/tree/v0.84.2rc10">v0.84.2rc10</a>
(2024-09-19)</h2>
<p><a
href="https://github.com/materialsproject/emmet/compare/v0.84.2rc9...v0.84.2rc10">Full
Changelog</a></p>
<p><strong>Merged pull requests:</strong></p>
<ul>
<li>make calc type enums IgnoreCase <a
href="https://redirect.github.com/materialsproject/emmet/pull/1108">#1108</a>
(<a href="https://github.com/tsmathis">tsmathis</a>)</li>
<li>Automated dependency upgrades <a
href="https://redirect.github.com/materialsproject/emmet/pull/1107">#1107</a>
(<a href="https://github.com/tschaume">tschaume</a>)</li>
</ul>
<h2><a
href="https://github.com/materialsproject/emmet/tree/v0.84.2rc9">v0.84.2rc9</a>
(2024-09-19)</h2>
<p><a
href="https://github.com/materialsproject/emmet/compare/v0.84.2rc8...v0.84.2rc9">Full
Changelog</a></p>
<p><strong>Merged pull requests:</strong></p>
<ul>
<li>Reverting MPCules PR <a
href="https://redirect.github.com/materialsproject/emmet/issues/926">#926</a>
<a
href="https://redirect.github.com/materialsproject/emmet/pull/1106">#1106</a>
(<a href="https://github.com/tschaume">tschaume</a>)</li>
</ul>
<h2><a
href="https://github.com/materialsproject/emmet/tree/v0.84.2rc8">v0.84.2rc8</a>
(2024-09-19)</h2>
<p><a
href="https://github.com/materialsproject/emmet/compare/v0.84.2rc7...v0.84.2rc8">Full
Changelog</a></p>
<p><strong>Fixed bugs:</strong></p>
<ul>
<li>[Bug]: Molecules calc types still trying to import missing enums <a
href="https://redirect.github.com/materialsproject/emmet/issues/1089">#1089</a></li>
<li>fix logic bug in batch_id validatoin <a
href="https://redirect.github.com/materialsproject/emmet/pull/1091">#1091</a>
(<a href="https://github.com/tsmathis">tsmathis</a>)</li>
</ul>
<p><strong>Merged pull requests:</strong></p>
<ul>
<li>Update enums actions <a
href="https://redirect.github.com/materialsproject/emmet/pull/1104">#1104</a>
(<a href="https://github.com/tsmathis">tsmathis</a>)</li>
<li>Replace | with Union in OpenMM flow <a
href="https://redirect.github.com/materialsproject/emmet/pull/1103">#1103</a>
(<a href="https://github.com/orionarcher">orionarcher</a>)</li>
<li>Automated dependency upgrades <a
href="https://redirect.github.com/materialsproject/emmet/pull/1100">#1100</a>
(<a href="https://github.com/tschaume">tschaume</a>)</li>
<li>force dynamic enum generation for emmet-core <a
href="https://redirect.github.com/materialsproject/emmet/pull/1097">#1097</a>
(<a href="https://github.com/tsmathis">tsmathis</a>)</li>
<li>Automated dependency upgrades <a
href="https://redirect.github.com/materialsproject/emmet/pull/1096">#1096</a>
(<a href="https://github.com/tschaume">tschaume</a>)</li>
<li>Generate enums in Github Actions <a
href="https://redirect.github.com/materialsproject/emmet/pull/1095">#1095</a>
(<a href="https://github.com/tschaume">tschaume</a>)</li>
<li>linting for qchem <a
href="https://redirect.github.com/materialsproject/emmet/pull/1093">#1093</a>
(<a href="https://github.com/tsmathis">tsmathis</a>)</li>
<li>Qchem enums <a
href="https://redirect.github.com/materialsproject/emmet/pull/1092">#1092</a>
(<a href="https://github.com/tsmathis">tsmathis</a>)</li>
<li>Automated dependency upgrades <a
href="https://redirect.github.com/materialsproject/emmet/pull/1090">#1090</a>
(<a href="https://github.com/tschaume">tschaume</a>)</li>
<li>Refactor and small updates to OpenMM and OpenFF task documents <a
href="https://redirect.github.com/materialsproject/emmet/pull/1087">#1087</a>
(<a href="https://github.com/orionarcher">orionarcher</a>)</li>
<li>Automated dependency upgrades <a
href="https://redirect.github.com/materialsproject/emmet/pull/1086">#1086</a>
(<a href="https://github.com/tschaume">tschaume</a>)</li>
<li>Add convenience util func for generating robocrys descriptions <a
href="https://redirect.github.com/materialsproject/emmet/pull/1076">#1076</a>
(<a href="https://github.com/tsmathis">tsmathis</a>)</li>
<li>Remove unnecessary indepencence checking <a
href="https://redirect.github.com/materialsproject/emmet/pull/767">#767</a>
(<a href="https://github.com/mjwen">mjwen</a>)</li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/materialsproject/emmet/commit/dead5b57a9c8b2bd99c4c281ff36c6646bdaf17c"><code>dead5b5</code></a>
linting</li>
<li><a
href="https://github.com/materialsproject/emmet/commit/d19188a1786ed4e135f73486f582c523af8459e3"><code>d19188a</code></a>
Merge pull request <a
href="https://redirect.github.com/materialsproject/emmet/issues/1110">#1110</a>
from orionarcher/11th_hour_renaming</li>
<li><a
href="https://github.com/materialsproject/emmet/commit/66cbfa702729b821170c68209d9631054a46ec00"><code>66cbfa7</code></a>
Change name of interchange_meta -&gt; mol_specs and add structure to
MDTaskDocum...</li>
<li><a
href="https://github.com/materialsproject/emmet/commit/246b4785e8b080670f04f6da77eb928b30a08b8e"><code>246b478</code></a>
upgrade dependencies for deployment</li>
<li><a
href="https://github.com/materialsproject/emmet/commit/b4474d92748d94f8ba6e0288177e4fcbb92e2162"><code>b4474d9</code></a>
Automated dependency upgrades (<a
href="https://redirect.github.com/materialsproject/emmet/issues/1109">#1109</a>)</li>
<li><a
href="https://github.com/materialsproject/emmet/commit/42494fe9fccc08e5dfe83d0433bbdf8073fc060a"><code>42494fe</code></a>
Updated CHANGELOG.md</li>
<li><a
href="https://github.com/materialsproject/emmet/commit/fbfb7e77c08c38727e3b874df5c74129ebe4c6c1"><code>fbfb7e7</code></a>
[automated commit] update calc type enums</li>
<li><a
href="https://github.com/materialsproject/emmet/commit/2fe0663b2b6acc62dea738be0fd1bbd6dad647ae"><code>2fe0663</code></a>
make calc type enums IgnoreCase</li>
<li><a
href="https://github.com/materialsproject/emmet/commit/bc9785ef8eafbe2533a9052964cdd773c8fc9eec"><code>bc9785e</code></a>
Revert &quot;new mongo host env var&quot;</li>
<li><a
href="https://github.com/materialsproject/emmet/commit/3afe98b56ab46fcddd7e9ac07075e5de7221c49e"><code>3afe98b</code></a>
upgrade dependencies for deployment</li>
<li>Additional commits viewable in <a
href="https://github.com/materialsproject/emmet/compare/v0.83.6...v0.84.2">compare
view</a></li>
</ul>
</details>
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Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bumps [prefect[dask]](https://github.com/PrefectHQ/prefect) from 3.0.2
to 3.0.3.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/PrefectHQ/prefect/releases">prefect[dask]'s
releases</a>.</em></p>
<blockquote>
<h2>Cache Rules Everything Around Me</h2>
<p>This release introduces improvements to cache policy configuration,
offering developers more control and flexibility in managing task result
caching:</p>
<ul>
<li>Customizable Storage Location: Specify where cache entries are
stored using the <code>key_storage</code> parameter.</li>
<li>Configurable Isolation Level: Set the isolation level for cache
access with the <code>isolation_level</code> parameter.</li>
<li>Locking Mechanism: Implement concurrent access control using the
<code>lock_manager</code> parameter.</li>
</ul>
<p>These enhancements allow for more sophisticated caching strategies,
improving performance and resource management in complex workflows.</p>
<p>To learn more about these changes, check out the <a
href="https://docs.prefect.io/3.0/develop/task-caching#customizing-the-cache">task
caching docs</a>.</p>
<h3>New Features 🎉</h3>
<ul>
<li>Add <code>key_storage</code>, <code>isolation_level</code> and
<code>lock_manager</code> configuration to cache policies by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15382">PrefectHQ/prefect#15382</a></li>
</ul>
<h3>Enhancements ➕➕</h3>
<ul>
<li>Adds settings to control server CORS configuration by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15396">PrefectHQ/prefect#15396</a></li>
<li>Add ability to specify <code>ConcurrencyOptions</code> by <a
href="https://github.com/jeanluciano"><code>@​jeanluciano</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15291">PrefectHQ/prefect#15291</a></li>
<li>Add <code>concurrency_limit</code> field to <code>flow.serve</code>
by <a
href="https://github.com/jeanluciano"><code>@​jeanluciano</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15376">PrefectHQ/prefect#15376</a></li>
<li>Allow a rich object to be passed to <code>concurrency_limit</code>
in client methods by <a
href="https://github.com/jeanluciano"><code>@​jeanluciano</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15425">PrefectHQ/prefect#15425</a></li>
<li>Add support for insecure webhooks by <a
href="https://github.com/westford14"><code>@​westford14</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15402">PrefectHQ/prefect#15402</a></li>
<li>Improve deployment concurrency GCL management by <a
href="https://github.com/collincchoy"><code>@​collincchoy</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15426">PrefectHQ/prefect#15426</a></li>
</ul>
<h3>Bug Fixes 🐞</h3>
<ul>
<li>Preserve <code>flow.name</code> with
<code>RunnerDeployment.from_storage</code> by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15393">PrefectHQ/prefect#15393</a></li>
<li>Lazy import <code>ray</code> to fix server startup issues by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15392">PrefectHQ/prefect#15392</a></li>
<li>Handle unnamed lambdas for consistency by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15400">PrefectHQ/prefect#15400</a></li>
<li>Fix task linking by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15418">PrefectHQ/prefect#15418</a></li>
<li>Fix ephemeral server start command for Windows by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15421">PrefectHQ/prefect#15421</a></li>
<li>Fix task run count when a task is configured with
<code>retry_delay_seconds</code> by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15424">PrefectHQ/prefect#15424</a></li>
<li>Fix bug where task cache storage is misconfigured by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15433">PrefectHQ/prefect#15433</a></li>
<li>Update task engine to increment <code>run_count</code> when entering
<code>RUNNING</code> state by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15436">PrefectHQ/prefect#15436</a></li>
</ul>
<h3>Integrations &amp; Dependencies 🤝</h3>
<ul>
<li>Add environment variables from GCP secrets to cloud run job v2
workers by <a
href="https://github.com/Ultramann"><code>@​Ultramann</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15423">PrefectHQ/prefect#15423</a></li>
<li>Prepare <code>prefect-redis</code> for <code>0.2.0</code> release by
<a href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15409">PrefectHQ/prefect#15409</a></li>
<li>Add <code>AzureBlobStorageContainer.list_blobs</code> method by <a
href="https://github.com/westford14"><code>@​westford14</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15390">PrefectHQ/prefect#15390</a></li>
<li>Add <code>oracledb</code> driver support in
<code>prefect-sqlalchemy</code> by <a
href="https://github.com/Ben-Taarit"><code>@​Ben-Taarit</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15385">PrefectHQ/prefect#15385</a></li>
</ul>
<h3>Development &amp; Tidiness 🧹</h3>
<ul>
<li>Add docs for configuring storage and isolation for cache policies by
<a href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in
<a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15397">PrefectHQ/prefect#15397</a></li>
<li>Improve type hinting docs for sync_compatible by <a
href="https://github.com/benjamincerigo"><code>@​benjamincerigo</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15327">PrefectHQ/prefect#15327</a></li>
<li>Refactors <code>__add__</code> and <code>__sub__</code> on cache
policies by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15379">PrefectHQ/prefect#15379</a></li>
<li>Add <code>mypy</code> type checking to <code>/models</code> by <a
href="https://github.com/bunchesofdonald"><code>@​bunchesofdonald</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15062">PrefectHQ/prefect#15062</a></li>
<li>Only load collections once by <a
href="https://github.com/abrookins"><code>@​abrookins</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15344">PrefectHQ/prefect#15344</a></li>
<li>Bump vue from 3.5.4 to 3.5.5 in /ui by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15386">PrefectHQ/prefect#15386</a></li>
<li>Bump typescript from 5.5.4 to 5.6.2 in /ui by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15387">PrefectHQ/prefect#15387</a></li>
<li>Bump tailwindcss from 3.4.10 to 3.4.11 in /ui by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15388">PrefectHQ/prefect#15388</a></li>
<li>Bump vite from 5.4.2 to 5.4.5 in /ui by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15372">PrefectHQ/prefect#15372</a></li>
<li>Bump vue-router from 4.4.3 to 4.4.5 in /ui by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15389">PrefectHQ/prefect#15389</a></li>
<li>Update <code>@​prefecthq/prefect-ui-library</code> to version 3.9.5
by <a
href="https://github.com/marvin-robot"><code>@​marvin-robot</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15411">PrefectHQ/prefect#15411</a></li>
<li>Bump vite from 5.4.5 to 5.4.6 in /ui by <a
href="https://github.com/dependabot"><code>@​dependabot</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15410">PrefectHQ/prefect#15410</a></li>
<li>Update <code>@​prefecthq/prefect-ui-library</code> to version 3.10.0
by <a
href="https://github.com/marvin-robot"><code>@​marvin-robot</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15419">PrefectHQ/prefect#15419</a></li>
</ul>
<h2>New Contributors</h2>
<ul>
<li><a
href="https://github.com/benjamincerigo"><code>@​benjamincerigo</code></a>
made their first contribution in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/15327">PrefectHQ/prefect#15327</a></li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/d9c51bc341df87b97647560caec0c12560d40748"><code>d9c51bc</code></a>
Fix incorrect imports in task caching example (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15445">#15445</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/4ee7d12bf25356145e986608d9860f162b60e934"><code>4ee7d12</code></a>
Improve deployment concurrency GCL management (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15426">#15426</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/bb96af8350d0772637b8f62ced2e9b838f866c89"><code>bb96af8</code></a>
Update <code>@​prefecthq/prefect-ui-library</code> to version 3.10.1 (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15441">#15441</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/ab6c49da7cbade5026d194a7f8a74fc3ce3d0cd5"><code>ab6c49d</code></a>
Update task engine to increment <code>run_count</code> when entering
<code>RUNNING</code> state (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/1">#1</a>...</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/e248442a1414aeb69acd607ca22fe841381a215d"><code>e248442</code></a>
Fix bug where task cache storage is misconfigured (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15433">#15433</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/54f6d06ad393a1e617311f5e800ebce84a8f2cc0"><code>54f6d06</code></a>
Update deployment client API to take an Union type for
<code>concurrency_limit</code> (#...</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/a09aacc388a69b70add28ad632f13bffac8e07e6"><code>a09aacc</code></a>
Fix task run count when a task is configured with
<code>retry_delay_seconds</code> (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15424">#15424</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/3e587103c4204808b3463661049779202452aaee"><code>3e58710</code></a>
Prepare <code>prefect-redis</code> for <code>0.2.0</code> release (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15409">#15409</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/6b8cc51a41bf7e8832ceb2416ea40779b0e773cd"><code>6b8cc51</code></a>
Add docs for configuring storage and isolation for cache policies (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15397">#15397</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/7de0aaa24ef95dc8d6a4dc7a0cb1dde437076687"><code>7de0aaa</code></a>
Adding support for insecure webhooks (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15402">#15402</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/PrefectHQ/prefect/compare/3.0.2...3.0.3">compare
view</a></li>
</ul>
</details>
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Bumps [pydantic](https://github.com/pydantic/pydantic) from 2.9.1 to
2.9.2.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
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releases</a>.</em></p>
<blockquote>
<h2>v2.9.2 (2024-09-17)</h2>
<h2>What's Changed</h2>
<h3>Fixes</h3>
<ul>
<li>Do not error when trying to evaluate annotations of private
attributes by <a
href="https://github.com/Viicos"><code>@​Viicos</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10358">#10358</a></li>
<li>Adding notes on designing sound <code>Callable</code> discriminators
by <a
href="https://github.com/sydney-runkle"><code>@​sydney-runkle</code></a>
in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10400">#10400</a></li>
<li>Fix serialization schema generation when using
<code>PlainValidator</code> by <a
href="https://github.com/Viicos"><code>@​Viicos</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10427">#10427</a></li>
<li>Fix <code>Union</code> serialization warnings by <a
href="https://github.com/sydney-runkle"><code>@​sydney-runkle</code></a>
in <a
href="https://redirect.github.com/pydantic/pydantic-core/pull/1449">pydantic/pydantic-core#1449</a></li>
<li>Fix variance issue in <code>_IncEx</code> type alias, only allow
<code>True</code> by <a
href="https://github.com/Viicos"><code>@​Viicos</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10414">#10414</a></li>
<li>Fix <code>ZoneInfo</code> validation with various invalid types by
<a
href="https://github.com/sydney-runkle"><code>@​sydney-runkle</code></a>
in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10408">#10408</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/pydantic/pydantic/compare/v2.9.1...v2.9.2">https://github.com/pydantic/pydantic/compare/v2.9.1...v2.9.2</a></p>
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<blockquote>
<h2>v2.9.2 (2024-09-17)</h2>
<p><a
href="https://github.com/pydantic/pydantic/releases/tag/v2.9.2">GitHub
release</a></p>
<h3>What's Changed</h3>
<h4>Fixes</h4>
<ul>
<li>Do not error when trying to evaluate annotations of private
attributes by <a
href="https://github.com/Viicos"><code>@​Viicos</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10358">#10358</a></li>
<li>Adding notes on designing sound <code>Callable</code> discriminators
by <a
href="https://github.com/sydney-runkle"><code>@​sydney-runkle</code></a>
in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10400">#10400</a></li>
<li>Fix serialization schema generation when using
<code>PlainValidator</code> by <a
href="https://github.com/Viicos"><code>@​Viicos</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10427">#10427</a></li>
<li>Fix <code>Union</code> serialization warnings by <a
href="https://github.com/sydney-runkle"><code>@​sydney-runkle</code></a>
in <a
href="https://redirect.github.com/pydantic/pydantic-core/pull/1449">pydantic/pydantic-core#1449</a></li>
<li>Fix variance issue in <code>_IncEx</code> type alias, only allow
<code>True</code> by <a
href="https://github.com/Viicos"><code>@​Viicos</code></a> in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10414">#10414</a></li>
<li>Fix <code>ZoneInfo</code> validation with various invalid types by
<a
href="https://github.com/sydney-runkle"><code>@​sydney-runkle</code></a>
in <a
href="https://redirect.github.com/pydantic/pydantic/pull/10408">#10408</a></li>
</ul>
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Fix <code>ZoneInfo</code> with various invalid types (<a
href="https://redirect.github.com/pydantic/pydantic/issues/10408">#10408</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic/commit/ea6115de0f36461b8fa9638c49249ebd4b9fd806"><code>ea6115d</code></a>
Fix variance issue in <code>_IncEx</code> type alias, only allow
<code>True</code> (<a
href="https://redirect.github.com/pydantic/pydantic/issues/10414">#10414</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic/commit/fbfe25a1195c1055034581e1a48ff6308231d70c"><code>fbfe25a</code></a>
Fix serialization schema generation when using
<code>PlainValidator</code> (<a
href="https://redirect.github.com/pydantic/pydantic/issues/10427">#10427</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic/commit/26cff3ccf65f29fd503c1357280a9f4d87f41fd6"><code>26cff3c</code></a>
Adding notes on designing callable discriminators (<a
href="https://redirect.github.com/pydantic/pydantic/issues/10400">#10400</a>)</li>
<li><a
href="https://github.com/pydantic/pydantic/commit/8a0e7adf6ac6d31056818f9bf8ce5a9dab6c9a6e"><code>8a0e7ad</code></a>
Do not error when trying to evaluate annotations of private attributes
(<a
href="https://redirect.github.com/pydantic/pydantic/issues/10358">#10358</a>)</li>
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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from
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fixing.)</li>
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fix chempot_diagram (<a
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Bumps [parsl[monitoring]](https://github.com/Parsl/parsl) from 2024.9.16
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Bumps [atomate2](https://github.com/materialsproject/atomate2) from
0.0.14 to 0.0.16.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/atomate2/releases">atomate2's
releases</a>.</em></p>
<blockquote>
<h2>v0.0.16</h2>
<p>This release brings lots of new workflows and support for all ASE
calculators.</p>
<h3>New Features 🎉</h3>
<ul>
<li>Anharmonicity Quantification workflow by <a
href="https://github.com/4kevinbeck5"><code>@​4kevinbeck5</code></a> in
<a
href="https://redirect.github.com/materialsproject/atomate2/pull/901">materialsproject/atomate2#901</a></li>
<li>Workflow for Quasi-harmonic approximation (forcefields and VASP) by
<a href="https://github.com/JaGeo"><code>@​JaGeo</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/903">materialsproject/atomate2#903</a></li>
<li>Atomate2 OpenMM integration &amp; broader classical MD framework by
<a href="https://github.com/orionarcher"><code>@​orionarcher</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/782">materialsproject/atomate2#782</a></li>
<li>Frequency Flattening Optimizer by <a
href="https://github.com/rohithsrinivaas"><code>@​rohithsrinivaas</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/863">materialsproject/atomate2#863</a></li>
<li>Including VASP surface adsorption flow by <a
href="https://github.com/itsduowang"><code>@​itsduowang</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/691">materialsproject/atomate2#691</a></li>
<li>Generalize forcefields for generic ASE calculator support by <a
href="https://github.com/esoteric-ephemera"><code>@​esoteric-ephemera</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/940">materialsproject/atomate2#940</a></li>
</ul>
<h3>Documentation 📖</h3>
<ul>
<li>Input set tutorial by <a
href="https://github.com/JonathanSchmidt1"><code>@​JonathanSchmidt1</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/780">materialsproject/atomate2#780</a></li>
</ul>
<h3>House-Keeping 🧹</h3>
<ul>
<li>Remove emmet <code>==</code> pin in <code>pyproject.toml</code> and
update version in <code>strict</code> by <a
href="https://github.com/Andrew-S-Rosen"><code>@​Andrew-S-Rosen</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/988">materialsproject/atomate2#988</a></li>
</ul>
<h3>New Contributors</h3>
<ul>
<li><a
href="https://github.com/4kevinbeck5"><code>@​4kevinbeck5</code></a>
made their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/901">materialsproject/atomate2#901</a></li>
<li><a
href="https://github.com/orionarcher"><code>@​orionarcher</code></a>
made their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/782">materialsproject/atomate2#782</a></li>
<li><a
href="https://github.com/rohithsrinivaas"><code>@​rohithsrinivaas</code></a>
made their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/863">materialsproject/atomate2#863</a></li>
<li><a
href="https://github.com/itsduowang"><code>@​itsduowang</code></a> made
their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/691">materialsproject/atomate2#691</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/materialsproject/atomate2/compare/v0.0.15...v0.0.16">https://github.com/materialsproject/atomate2/compare/v0.0.15...v0.0.16</a></p>
<h2>v0.0.15</h2>
<p><strong>NOTE</strong>: This version updates the VASP workflows to use
input sets defined in pymatgen. Please make sure your pymatgen version
is updated accordingly.</p>
<h3>New Features 🎉</h3>
<ul>
<li>Add nequip force field relax- and staticmaker and corresponding
tests by <a
href="https://github.com/JonathanSchmidt1"><code>@​JonathanSchmidt1</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/764">materialsproject/atomate2#764</a></li>
<li>Porting qchem into atomate2 by <a
href="https://github.com/rdguha1995"><code>@​rdguha1995</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/689">materialsproject/atomate2#689</a></li>
<li>Forcefield molecular dynamics and forcefield refactor by <a
href="https://github.com/esoteric-ephemera"><code>@​esoteric-ephemera</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/722">materialsproject/atomate2#722</a></li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/atomate2/blob/main/CHANGELOG.md">atomate2's
changelog</a>.</em></p>
<blockquote>
<h2>v0.0.16</h2>
<p>This release brings lots of new workflows and support for all ASE
calculators.</p>
<h3>New Features 🎉</h3>
<ul>
<li>Anharmonicity Quantification workflow by <a
href="https://github.com/4kevinbeck5"><code>@​4kevinbeck5</code></a> in
<a
href="https://redirect.github.com/materialsproject/atomate2/pull/901">materialsproject/atomate2#901</a></li>
<li>Workflow for Quasi-harmonic approximation (forcefields and VASP) by
<a href="https://github.com/JaGeo"><code>@​JaGeo</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/903">materialsproject/atomate2#903</a></li>
<li>Atomate2 OpenMM integration &amp; broader classical MD framework by
<a href="https://github.com/orionarcher"><code>@​orionarcher</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/782">materialsproject/atomate2#782</a></li>
<li>Frequency Flattening Optimizer by <a
href="https://github.com/rohithsrinivaas"><code>@​rohithsrinivaas</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/863">materialsproject/atomate2#863</a></li>
<li>Including VASP surface adsorption flow by <a
href="https://github.com/itsduowang"><code>@​itsduowang</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/691">materialsproject/atomate2#691</a></li>
<li>Generalize forcefields for generic ASE calculator support by <a
href="https://github.com/esoteric-ephemera"><code>@​esoteric-ephemera</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/940">materialsproject/atomate2#940</a></li>
</ul>
<h3>Documentation 📖</h3>
<ul>
<li>Input set tutorial by <a
href="https://github.com/JonathanSchmidt1"><code>@​JonathanSchmidt1</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/780">materialsproject/atomate2#780</a></li>
</ul>
<h3>House-Keeping 🧹</h3>
<ul>
<li>Remove emmet <code>==</code> pin in <code>pyproject.toml</code> and
update version in <code>strict</code> by <a
href="https://github.com/Andrew-S-Rosen"><code>@​Andrew-S-Rosen</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/988">materialsproject/atomate2#988</a></li>
</ul>
<h3>New Contributors</h3>
<ul>
<li><a
href="https://github.com/4kevinbeck5"><code>@​4kevinbeck5</code></a>
made their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/901">materialsproject/atomate2#901</a></li>
<li><a
href="https://github.com/orionarcher"><code>@​orionarcher</code></a>
made their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/782">materialsproject/atomate2#782</a></li>
<li><a
href="https://github.com/rohithsrinivaas"><code>@​rohithsrinivaas</code></a>
made their first contribution in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/863">materialsproject/atomate2#863</a></li>
<li><a
href="https://github.com/itsduowang"><code>@​itsduowang</code></a> made
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href="https://redirect.github.com/materialsproject/atomate2/pull/691">materialsproject/atomate2#691</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/materialsproject/atomate2/compare/v0.0.15...v0.0.16">https://github.com/materialsproject/atomate2/compare/v0.0.15...v0.0.16</a></p>
<h2>v0.0.15</h2>
<p><strong>NOTE</strong>: This version updates the VASP workflows to use
input sets defined in pymatgen. Please make sure your pymatgen version
is updated accordingly.</p>
<h3>New Features 🎉</h3>
<ul>
<li>Add nequip force field relax- and staticmaker and corresponding
tests by <a
href="https://github.com/JonathanSchmidt1"><code>@​JonathanSchmidt1</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/764">materialsproject/atomate2#764</a></li>
<li>Porting qchem into atomate2 by <a
href="https://github.com/rdguha1995"><code>@​rdguha1995</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/689">materialsproject/atomate2#689</a></li>
<li>Forcefield molecular dynamics and forcefield refactor by <a
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in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/722">materialsproject/atomate2#722</a></li>
<li>Abinit workflows: static, non-scf and relaxation. by <a
href="https://github.com/davidwaroquiers"><code>@​davidwaroquiers</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/183">materialsproject/atomate2#183</a></li>
<li>Add magnetic orderings workflow by <a
href="https://github.com/mattmcdermott"><code>@​mattmcdermott</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/432">materialsproject/atomate2#432</a></li>
<li>Add elastic workflow for FHI-aims by <a
href="https://github.com/tpurcell90"><code>@​tpurcell90</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/871">materialsproject/atomate2#871</a></li>
<li>Transition to pymatgen VASP input sets by <a
href="https://github.com/esoteric-ephemera"><code>@​esoteric-ephemera</code></a>
in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/854">materialsproject/atomate2#854</a></li>
<li>Add workflow to compute Gruneisen parameters by <a
href="https://github.com/naik-aakash"><code>@​naik-aakash</code></a> in
<a
href="https://redirect.github.com/materialsproject/atomate2/pull/752">materialsproject/atomate2#752</a></li>
</ul>
<h3>Bug Fixes 🐛</h3>
<ul>
<li>Fix tests and installation bug by <a
href="https://github.com/jmmshn"><code>@​jmmshn</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/765">materialsproject/atomate2#765</a></li>
<li>Add <code>revert_default_dtype</code> context manager to fix
clashing global <code>torch.dtype</code> between MACE and CHGNet by <a
href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/766">materialsproject/atomate2#766</a></li>
<li>Fix <code>TrajectoryObserver.to_ase_trajectory</code> return type by
<a href="https://github.com/janosh"><code>@​janosh</code></a> in <a
href="https://redirect.github.com/materialsproject/atomate2/pull/852">materialsproject/atomate2#852</a></li>
</ul>
<!-- raw HTML omitted -->
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<li><a
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Update changelog</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/fdb48943e19cc16dc824f58fd64e0fcab7f92209"><code>fdb4894</code></a>
Generalize forcefields for generic ASE calculator support (<a
href="https://redirect.github.com/materialsproject/atomate2/issues/940">#940</a>)</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/25139036388da31c3461818bb0f0b3b00ae71f7c"><code>2513903</code></a>
Including VASP surface adsorption flow (<a
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Input set tutorial (<a
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Frequency Flattening Optimizer (<a
href="https://redirect.github.com/materialsproject/atomate2/issues/863">#863</a>)</li>
<li><a
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Atomate2 OpenMM integration &amp; broader classical MD framework (<a
href="https://redirect.github.com/materialsproject/atomate2/issues/782">#782</a>)</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/44038580b0a61fba31443efa3b5e3e1032ccae82"><code>4403858</code></a>
Remove emmet <code>==</code> pin in <code>pyproject.toml</code> and
update version in <code>strict</code> (<a
href="https://redirect.github.com/materialsproject/atomate2/issues/988">#988</a>)</li>
<li><a
href="https://github.com/materialsproject/atomate2/commit/8fe69351a18bba2f0198437b0e98860e61a2e6e7"><code>8fe6935</code></a>
Bump pydantic from 2.9.1 to 2.9.2 (<a
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Bump sevenn from 0.9.3 to 0.9.3.post1 (<a
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Bump mp-api from 0.42.1 to 0.42.2 (<a
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Bumps [maggma](https://github.com/materialsproject/maggma) from 0.69.3
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issue warning about state of open data stores and xfail tests that do
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Bumps [prefect[dask]](https://github.com/PrefectHQ/prefect) from 3.0.3
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<details>
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<li><a
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<li><a
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override <code>_coerce_env</code> for k8s worker (<a
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<li><a
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Fix dev nightly release errors (<a
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<li><a
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Fix bug in nightly release workflow (<a
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<li><a
href="https://github.com/PrefectHQ/prefect/commit/a38efacfdfb99fde135b37623d265a6f77a15b46"><code>a38efac</code></a>
Update weekly RC workflow to a nightly development workflow (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15545">#15545</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/ce57a6297f11114e7908fb5ccaa5c6042698c297"><code>ce57a62</code></a>
Enforces deployment concurrency with orchestration polices. (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/15504">#15504</a>)</li>
<li><a
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Update tasks to inherit the lock manager from a parent transaction if
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Update cache isolation example to show different behavior between
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add <code>get_current_workspace</code> cloud client method (<a
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Update <code>transaction</code> context manager to default
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Since it's relevant to Quantum Espresso, the "INCAR" used for VASP was
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Bumps [jobflow-remote](https://github.com/Matgenix/jobflow-remote) from
0.1.5 to 0.1.6.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/Matgenix/jobflow-remote/releases">jobflow-remote's
releases</a>.</em></p>
<blockquote>
<h2>v0.1.6</h2>
<p>Bug fix release: pin pymongo version to lower than 4.11 to avoid
incompatibility with maggma</p>
<h1>Changelog</h1>
<h2><a
href="https://github.com/Matgenix/jobflow-remote/tree/v0.1.6">v0.1.6</a>
(2025-02-07)</h2>
<p><a
href="https://github.com/Matgenix/jobflow-remote/compare/v0.1.5...v0.1.6">Full
Changelog</a></p>
<p><strong>Closed issues:</strong></p>
<ul>
<li>Replacing failed jobs and adding new jobs to a flow <a
href="https://redirect.github.com/Matgenix/jobflow-remote/issues/250">#250</a></li>
</ul>
<p><strong>Merged pull requests:</strong></p>
<ul>
<li>Bug fix for Remote Host <a
href="https://redirect.github.com/Matgenix/jobflow-remote/pull/253">#253</a>
(<a href="https://github.com/gpetretto">gpetretto</a>)</li>
<li>Hot fix to pin pymongo version to lower than 4.11. <a
href="https://redirect.github.com/Matgenix/jobflow-remote/pull/251">#251</a>
(<a href="https://github.com/davidwaroquiers">davidwaroquiers</a>)</li>
</ul>
<p>* <em>This Changelog was automatically generated by <a
href="https://github.com/github-changelog-generator/github-changelog-generator">github_changelog_generator</a></em></p>
</blockquote>
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<p><em>Sourced from <a
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<blockquote>
<h2><a
href="https://github.com/Matgenix/jobflow-remote/tree/v0.1.6">v0.1.6</a>
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<p><a
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<p><strong>Closed issues:</strong></p>
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<li>Replacing failed jobs and adding new jobs to a flow <a
href="https://redirect.github.com/Matgenix/jobflow-remote/issues/250">#250</a></li>
</ul>
<p><strong>Merged pull requests:</strong></p>
<ul>
<li>Bug fix for Remote Host <a
href="https://redirect.github.com/Matgenix/jobflow-remote/pull/253">#253</a>
(<a href="https://github.com/gpetretto">gpetretto</a>)</li>
<li>Hot fix to pin pymongo version to lower than 4.11. <a
href="https://redirect.github.com/Matgenix/jobflow-remote/pull/251">#251</a>
(<a href="https://github.com/davidwaroquiers">davidwaroquiers</a>)</li>
</ul>
</blockquote>
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<ul>
<li><a
href="https://github.com/Matgenix/jobflow-remote/commit/ef564ac9fb7b06f20b33c6b862349b7312fcf838"><code>ef564ac</code></a>
Release v0.1.6</li>
<li><a
href="https://github.com/Matgenix/jobflow-remote/commit/32274ffef9a0bbae943b3b10814e3167c9dcaf7f"><code>32274ff</code></a>
Bump pydantic from 2.10.5 to 2.10.6</li>
<li><a
href="https://github.com/Matgenix/jobflow-remote/commit/c125b5553b3fe32763a2d91bd9c09bebeb65acf2"><code>c125b55</code></a>
add explanation</li>
<li><a
href="https://github.com/Matgenix/jobflow-remote/commit/fa3a0781f37fd1c54995a5c2777436cb777c7c74"><code>fa3a078</code></a>
fix traceback.format_exception for 3.9 compatibility</li>
<li><a
href="https://github.com/Matgenix/jobflow-remote/commit/d5be1e9866e1472549562b74afcd53e3c66a7ac8"><code>d5be1e9</code></a>
bug fix for Remote Host</li>
<li><a
href="https://github.com/Matgenix/jobflow-remote/commit/8dd709d75ad588ff38744f5d572d22fded3c8b8c"><code>8dd709d</code></a>
Hot fix to pin pymongo version to lower than 4.11.</li>
<li>See full diff in <a
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Bumps [orb-models](https://github.com/orbital-materials/orb-models) from
0.4.1 to 0.4.2.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/orbital-materials/orb-models/releases">orb-models's
releases</a>.</em></p>
<blockquote>
<h2>v0.4.2</h2>
<h2>What's Changed</h2>
<ul>
<li>added jupyter notebook and examples for sagemaker by <a
href="https://github.com/Arthurhussey"><code>@​Arthurhussey</code></a>
in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/45">orbital-materials/orb-models#45</a></li>
<li>update notebook by <a
href="https://github.com/Arthurhussey"><code>@​Arthurhussey</code></a>
in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/46">orbital-materials/orb-models#46</a></li>
<li>Replace <code>torch.cuda.amp.autocast</code> -&gt;
<code>torch.autocast</code> by <a
href="https://github.com/BenedictIrwin"><code>@​BenedictIrwin</code></a>
in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/43">orbital-materials/orb-models#43</a></li>
<li>added eol announcement by <a
href="https://github.com/Arthurhussey"><code>@​Arthurhussey</code></a>
in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/47">orbital-materials/orb-models#47</a></li>
<li>fixed marketplace product id by <a
href="https://github.com/Arthurhussey"><code>@​Arthurhussey</code></a>
in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/48">orbital-materials/orb-models#48</a></li>
<li>fix: mark the return type as <code>GraphRegressor</code> instead of
<code>torch.nn.Module</code> by <a
href="https://github.com/caic99"><code>@​caic99</code></a> in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/50">orbital-materials/orb-models#50</a></li>
<li>Feature/md tutorial by <a
href="https://github.com/timduignan"><code>@​timduignan</code></a> in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/49">orbital-materials/orb-models#49</a></li>
<li>Colab for MD by <a
href="https://github.com/timduignan"><code>@​timduignan</code></a> in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/51">orbital-materials/orb-models#51</a></li>
<li>correct ordering of properties by <a
href="https://github.com/DeNeutoy"><code>@​DeNeutoy</code></a> in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/55">orbital-materials/orb-models#55</a></li>
<li>added azure model card and examples by <a
href="https://github.com/Arthurhussey"><code>@​Arthurhussey</code></a>
in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/56">orbital-materials/orb-models#56</a></li>
</ul>
<h2>New Contributors</h2>
<ul>
<li><a
href="https://github.com/BenedictIrwin"><code>@​BenedictIrwin</code></a>
made their first contribution in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/43">orbital-materials/orb-models#43</a></li>
<li><a href="https://github.com/caic99"><code>@​caic99</code></a> made
their first contribution in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/50">orbital-materials/orb-models#50</a></li>
<li><a
href="https://github.com/timduignan"><code>@​timduignan</code></a> made
their first contribution in <a
href="https://redirect.github.com/orbital-materials/orb-models/pull/49">orbital-materials/orb-models#49</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/orbital-materials/orb-models/compare/v0.4.1...v0.4.2">https://github.com/orbital-materials/orb-models/compare/v0.4.1...v0.4.2</a></p>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/9c7d5869c594bfb09f282ca919cbbfb3381da247"><code>9c7d586</code></a>
added azure model card and examples (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/56">#56</a>)</li>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/98010908d6c08948fe70a4353a34ee919d30b7cf"><code>9801090</code></a>
correct ordering of properties (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/55">#55</a>)</li>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/7e9d0544c7d6cbb32bb939457923479a8d7adfdf"><code>7e9d054</code></a>
Colab for MD (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/51">#51</a>)</li>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/3c79a26ba28ff64a6522b8db30f52e015d0b9064"><code>3c79a26</code></a>
Feature/md tutorial (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/49">#49</a>)</li>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/b6746b0f156cbf4c25d7c9bf9bc6bf69c07d0e9c"><code>b6746b0</code></a>
fix: mark the return type as <code>GraphRegressor</code> instead of
<code>torch.nn.Module</code> (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/50">#50</a>)</li>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/6847b1c01386f6d4b8a4c78929185b6cb0c75cf9"><code>6847b1c</code></a>
fixed marketplace product id (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/48">#48</a>)</li>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/4f9199a3e8cb98330d4d497a4ccb53b83c09b094"><code>4f9199a</code></a>
added eol announcement (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/47">#47</a>)</li>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/3571dcb3abbd834fafb999a0596e982c150f0809"><code>3571dcb</code></a>
replace torch.cuda.amp.autocast -&gt; torch.autocast (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/43">#43</a>)</li>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/46ca715816121f94cf25be2b4f4f3bae734ae5ed"><code>46ca715</code></a>
update notebook (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/46">#46</a>)</li>
<li><a
href="https://github.com/orbital-materials/orb-models/commit/4b7abe3bd147ccce45433eaf464140bfc0939ea5"><code>4b7abe3</code></a>
added jupyter notebook and examples for sagemaker (<a
href="https://redirect.github.com/orbital-materials/orb-models/issues/45">#45</a>)</li>
<li>See full diff in <a
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Bumps [maggma](https://github.com/materialsproject/maggma) from 0.71.2
to 0.71.4.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/maggma/releases">maggma's
releases</a>.</em></p>
<blockquote>
<h2>v0.71.4</h2>
<p>Version 0.71.4</p>
<h3>Commits</h3>
<ul>
<li>[f17caad0] Merge pull request <a
href="https://redirect.github.com/materialsproject/maggma/issues/1026">#1026</a>
from materialsproject/auto-dependency-upgrades</li>
<li>[9b2c4e69] Merge branch 'main' into auto-dependency-upgrades</li>
<li>[5fd56032] pin pymongo &lt;4.11</li>
<li>[d303e992] Updated CHANGELOG.md</li>
</ul>
<h2>v0.71.3</h2>
<p>Version 0.71.3</p>
<h3>Commits</h3>
<ul>
<li>[691ebf41] Merge pull request <a
href="https://redirect.github.com/materialsproject/maggma/issues/1030">#1030</a>
from rkingsbury/zopen</li>
<li>[02520e80] zopen: add explicit encoding to read_json; explicit
mode</li>
<li>[ff6d1950] zopen: add explicit encoding to read_json; explicit
mode</li>
<li>[0fddbc2b] Merge pull request <a
href="https://redirect.github.com/materialsproject/maggma/issues/1029">#1029</a>
from Andrew-S-Rosen/patch-4</li>
<li>[fe76a1e5] Update pyproject.toml</li>
<li>[a232b1e6] Merge pull request <a
href="https://redirect.github.com/materialsproject/maggma/issues/1023">#1023</a>
from materialsproject/auto-dependency-upgrades</li>
<li>[8cd2d133] Updated CHANGELOG.md</li>
<li>[67a6d8b9] Merge branch 'main' into auto-dependency-upgrades</li>
</ul>
</blockquote>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/materialsproject/maggma/blob/main/docs/CHANGELOG.md">maggma's
changelog</a>.</em></p>
<blockquote>
<h2><a
href="https://github.com/materialsproject/maggma/tree/v0.71.4">v0.71.4</a>
(2025-02-06)</h2>
<p><a
href="https://github.com/materialsproject/maggma/compare/v0.71.3...v0.71.4">Full
Changelog</a></p>
<h2><a
href="https://github.com/materialsproject/maggma/tree/v0.71.3">v0.71.3</a>
(2025-02-06)</h2>
<p><a
href="https://github.com/materialsproject/maggma/compare/v0.71.2...v0.71.3">Full
Changelog</a></p>
<p><strong>Implemented enhancements:</strong></p>
<ul>
<li>zopen: add explicit encoding to read_json; explicit mode <a
href="https://redirect.github.com/materialsproject/maggma/pull/1030">#1030</a>
(<a href="https://github.com/rkingsbury">rkingsbury</a>)</li>
</ul>
<p><strong>Fixed bugs:</strong></p>
<ul>
<li>[Bug]: monty's zopen expects keyword <code>mode</code> to be set <a
href="https://redirect.github.com/materialsproject/maggma/issues/1024">#1024</a></li>
</ul>
<p><strong>Merged pull requests:</strong></p>
<ul>
<li>Remove python 3.8 classifier from pyproject.toml <a
href="https://redirect.github.com/materialsproject/maggma/pull/1029">#1029</a>
(<a href="https://github.com/Andrew-S-Rosen">Andrew-S-Rosen</a>)</li>
</ul>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/materialsproject/maggma/commit/f17caad09cb46b53ff317d35953437b9f0915c3d"><code>f17caad</code></a>
Merge pull request <a
href="https://redirect.github.com/materialsproject/maggma/issues/1026">#1026</a>
from materialsproject/auto-dependency-upgrades</li>
<li><a
href="https://github.com/materialsproject/maggma/commit/9b2c4e6988ff38cb6c6d258d89d1972cf80acfc2"><code>9b2c4e6</code></a>
Merge branch 'main' into auto-dependency-upgrades</li>
<li><a
href="https://github.com/materialsproject/maggma/commit/5fd56032a548a5ec6738b818586ceeeefc04ca8e"><code>5fd5603</code></a>
pin pymongo &lt;4.11</li>
<li><a
href="https://github.com/materialsproject/maggma/commit/d303e9927698548cad747c4691ff26e188bfdb9b"><code>d303e99</code></a>
Updated CHANGELOG.md</li>
<li><a
href="https://github.com/materialsproject/maggma/commit/691ebf416c1f5a34953cfddf2ecdc864e5a7d013"><code>691ebf4</code></a>
Merge pull request <a
href="https://redirect.github.com/materialsproject/maggma/issues/1030">#1030</a>
from rkingsbury/zopen</li>
<li><a
href="https://github.com/materialsproject/maggma/commit/02520e8008ffffef9a45a731ed781bb4d1c8abe1"><code>02520e8</code></a>
zopen: add explicit encoding to read_json; explicit mode</li>
<li><a
href="https://github.com/materialsproject/maggma/commit/ff6d1950b2cb491d453313a94382dbb3fc8265e4"><code>ff6d195</code></a>
zopen: add explicit encoding to read_json; explicit mode</li>
<li><a
href="https://github.com/materialsproject/maggma/commit/33e595b036880cdb74c39d373fc3c7805c573cc0"><code>33e595b</code></a>
update dependencies for . (ubuntu-latest/py3.9)</li>
<li><a
href="https://github.com/materialsproject/maggma/commit/7f88c315a03ddf292c221b2ebf5212d3d413b487"><code>7f88c31</code></a>
update dependencies for . (ubuntu-latest/py3.12)</li>
<li><a
href="https://github.com/materialsproject/maggma/commit/dac00f41f529401c0f0c8bafee96d0dcc8c50fbb"><code>dac00f4</code></a>
update dependencies for . (ubuntu-latest/py3.11)</li>
<li>Additional commits viewable in <a
href="https://github.com/materialsproject/maggma/compare/v0.71.2...v0.71.4">compare
view</a></li>
</ul>
</details>
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Bumps [prefect[dask]](https://github.com/PrefectHQ/prefect) from 3.1.15
to 3.2.0.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/PrefectHQ/prefect/releases">prefect[dask]'s
releases</a>.</em></p>
<blockquote>
<h2>Param-a-lama-ding-dong</h2>
<h2>What's Changed</h2>
<p>This release contains a lot! In particular, users can now specify
parameters on a per-schedule basis. This is useful for flows with
multiple schedules, for example:</p>
<pre lang="python"><code>from prefect import flow
from prefect.schedules import Cron
<p><a href="https://github.com/flow"><code>@​flow</code></a>
def send_email(to: str, message: str = &quot;Stop goofing off!&quot;):
print(f&quot;Sending email to {to} with message: {message}&quot;)</p>
<p>send_email.serve(
name=&quot;my-flow&quot;,
schedules=[
Cron(
&quot;0 8 * * *&quot;,
parameters={&quot;to&quot;: &quot;<a
href="mailto:[email protected]">[email protected]</a>&quot;}
),
Cron(
&quot;5 8 * * *&quot;,
parameters={
&quot;to&quot;: &quot;<a
href="mailto:[email protected]">[email protected]</a>&quot;,
&quot;message&quot;: &quot;Stop goofing off! You're assistant
<em>to</em> the regional manager!&quot;
}
)
]
)
</code></pre></p>
<p>See <a
href="https://docs.prefect.io/v3/automate/add-schedules#associate-parameters-with-schedules">the
documentation</a> for more details.</p>
<h3>Enhancements ➕➕</h3>
<ul>
<li>Update deployments PATCH endpoint to make more targeted updates with
slugs by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17027">PrefectHQ/prefect#17027</a></li>
<li>Update deployment SDK to use slugs by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17043">PrefectHQ/prefect#17043</a></li>
<li>Update the SDK to use <code>PATCH /deployments/{id}</code> endpoint
for existing deployments by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17050">PrefectHQ/prefect#17050</a></li>
<li>Add database migration that adds parameter fields to deployment
schedules by <a href="https://github.com/cicdw"><code>@​cicdw</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/16947">PrefectHQ/prefect#16947</a></li>
<li>Add non-public implementation of parametrized schedules by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/16951">PrefectHQ/prefect#16951</a></li>
<li>Allow definition of per-schedule parameter overrides via
<code>prefect.yaml</code> by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/16963">PrefectHQ/prefect#16963</a></li>
<li>Allow definition of per-schedule parameters via <code>.serve</code>
and <code>.deploy</code> by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/16965">PrefectHQ/prefect#16965</a></li>
<li>Use retry logic of underlying prefect client properly by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/16992">PrefectHQ/prefect#16992</a></li>
<li>Remove some log noise in pause and abort handling by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17014">PrefectHQ/prefect#17014</a></li>
<li>Allow for updating a deployment's parameter openapi schema by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17016">PrefectHQ/prefect#17016</a></li>
<li>Allow for pull step updates on deployments by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17045">PrefectHQ/prefect#17045</a></li>
</ul>
<h3>Bug Fixes 🐞</h3>
<ul>
<li>Remove unused function by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/16923">PrefectHQ/prefect#16923</a></li>
<li>fix <code>create_markdown_artifact</code> usage in
<code>prefect-dbt</code> by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/16926">PrefectHQ/prefect#16926</a></li>
<li>Add fix for creating profile with default name conflict by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/16932">PrefectHQ/prefect#16932</a></li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/c8986edebb2dde3e2a931adbe24d2eaefcb799cb"><code>c8986ed</code></a>
Update the SDK to use <code>PATCH /deployments/{id}</code> endpoint for
existing deploym...</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/0794427d93c3532eb16ad9c1b6edd849c8a31c3a"><code>0794427</code></a>
Devan/eng 1244 artifactskeyname (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17030">#17030</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/0432b6d106ab5a806655a49288815bfcdb1b1dfa"><code>0432b6d</code></a>
add cli docs (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17037">#17037</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/b5012c4005126d8c220a18bbaff9ec7493ba72a1"><code>b5012c4</code></a>
Add <code>PrefectDbtRunner</code> (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/16971">#16971</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/2b27587dfae49cf3eb910869600dfe5340c6baab"><code>2b27587</code></a>
[UI v2] feat: Adds RQ for automations/related-to (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17032">#17032</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/a175a0a6cbf41a6529e66d4e69cd81c39a01f6e9"><code>a175a0a</code></a>
[UI v2] feat: Adds createDeploymentFlowRun mutation (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17047">#17047</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/a84945ef708dff3e863ce83b7d30e370fbb3bc7d"><code>a84945e</code></a>
[UI v2] feat: Adds Deployment Action Menu component (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17015">#17015</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/57635cf89320659f58b98aa15eb5bcd37e7d691e"><code>57635cf</code></a>
Refactor <code>to_state_create</code> (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17033">#17033</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/c50c1022c47f164d5eeaa1bd2eede632a326bf43"><code>c50c102</code></a>
Allow for pull step updates on deployments (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17045">#17045</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/175f40db267ed55ebeaad9eb96dcd5be892d0db3"><code>175f40d</code></a>
Update <code>@​prefecthq/prefect-ui-library</code> to version 3.11.42
(<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17046">#17046</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/PrefectHQ/prefect/compare/3.1.15...3.2.0">compare
view</a></li>
</ul>
</details>
<br />


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Bumps [phonopy](https://github.com/phonopy/phonopy) from 2.36.0 to
2.37.0.
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/phonopy/phonopy/blob/develop/doc/changelog.md">phonopy's
changelog</a>.</em></p>
<blockquote>
<h2>Feb-7-2025: Version 2.37.0</h2>
<ul>
<li>Change the number of supercells with random displacements generated
by <code>--rd auto</code>. The number will be roughly twice.</li>
</ul>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/phonopy/phonopy/commit/d1848144fc1c75da70a12750703ddfc81a977b5d"><code>d184814</code></a>
Merge branch 'develop'</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/53e517bed31eb143e52542c94568270831bdd6ce"><code>53e517b</code></a>
Merge pull request <a
href="https://redirect.github.com/phonopy/phonopy/issues/517">#517</a>
from phonopy/release</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/48f4be65ed3029193f4e8800661e10bdbb77a717"><code>48f4be6</code></a>
Set version 2.37.0</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/ef63de7b5582c5e3c31c8bc24cf7b12556741ad3"><code>ef63de7</code></a>
Merge pull request <a
href="https://redirect.github.com/phonopy/phonopy/issues/516">#516</a>
from phonopy/rd-auto</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/ce536d1df56d5dc9ddbf7441bc3f8894e26c6aca"><code>ce536d1</code></a>
Twice more supercells by --rd auto</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/b17f9cc4bf82b40eb3068dbd00b4f475071818d0"><code>b17f9cc</code></a>
Add SymfcFCSolver.estimate_basis_size()</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/3e92f496d58345dd56718f20429f9800be1adeb9"><code>3e92f49</code></a>
Merge pull request <a
href="https://redirect.github.com/phonopy/phonopy/issues/515">#515</a>
from phonopy/fix-symcell-yaml</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/367ef5ccf2384d1a61ed5f236bf41c5d9faa57fe"><code>367ef5c</code></a>
Order by symbols phonopy_symcells.yaml (when having centering)</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/842afe641a6cf5521b92aaa86a1a211fb56aedfd"><code>842afe6</code></a>
Merge pull request <a
href="https://redirect.github.com/phonopy/phonopy/issues/514">#514</a>
from phonopy/cli-update</li>
<li><a
href="https://github.com/phonopy/phonopy/commit/d9aa8fe3a892f66398e86a89058ff09080e1657a"><code>d9aa8fe</code></a>
Improve CLI input structure handling</li>
<li>Additional commits viewable in <a
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view</a></li>
</ul>
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Signed-off-by: dependabot[bot] <[email protected]>
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Bumps [pymongo](https://github.com/mongodb/mongo-python-driver) from
4.10.1 to 4.11.1.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/mongodb/mongo-python-driver/releases">pymongo's
releases</a>.</em></p>
<blockquote>
<h2>PyMongo 4.11.1</h2>
<p>Community notes: <a
href="https://www.mongodb.com/community/forums/t/pymongo-4-11-1-released/312193">https://www.mongodb.com/community/forums/t/pymongo-4-11-1-released/312193</a></p>
<h2>PyMongo 4.11.0</h2>
<p>Community notes: <a
href="https://www.mongodb.com/community/forums/t/pymongo-4-11-released/310976">https://www.mongodb.com/community/forums/t/pymongo-4-11-released/310976</a></p>
</blockquote>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/mongodb/mongo-python-driver/blob/4.11.1/doc/changelog.rst">pymongo's
changelog</a>.</em></p>
<blockquote>
<h2>Changes in Version 4.11.1 (2025/MM/DD)</h2>
<ul>
<li>Fixed support for prebuilt <code>ppc64le</code> and
<code>s390x</code> wheels.</li>
</ul>
<h2>Changes in Version 4.11.0 (2025/01/28)</h2>
<p>.. warning:: PyMongo 4.11 drops support for Python 3.8 and PyPy 3.9:
Python 3.9+ or PyPy 3.10+ is now required.
.. warning:: PyMongo 4.11 drops support for MongoDB 3.6. PyMongo now
supports MongoDB 4.0+.
Driver support for MongoDB 3.6 reached end of life in April 2024.
.. warning:: Driver support for MongoDB 4.0 reaches end of life in April
2025.
A future minor release of PyMongo will raise the minimum supported
MongoDB Server version from 4.0 to 4.2.
This is in accordance with <a
href="https://www.mongodb.com/legal/support-policy/lifecycles">MongoDB
Software Lifecycle Schedules</a>.
<strong>Support for MongoDB Server 4.0 will be dropped in a future
release!</strong>
.. warning:: This version does not include wheels for
<code>ppc64le</code> or <code>s390x</code> architectures, see
<code>PYTHON-5058</code>_ for more information.</p>
<p>PyMongo 4.11 brings a number of changes including:</p>
<ul>
<li>Dropped support for Python 3.8 and PyPy 3.9.</li>
<li>Dropped support for MongoDB 3.6.</li>
<li>Dropped support for the MONGODB-CR authenticate mechanism, which is
no longer supported by MongoDB 4.0+.</li>
<li>pymongocrypt&gt;=1.12 is now required for :ref:<code>In-Use
Encryption</code> support.</li>
<li>Added support for free-threaded Python with the GIL disabled. For
more information see:
<code>Free-threaded CPython
&lt;https://docs.python.org/3.13/whatsnew/3.13.html#whatsnew313-free-threaded-cpython&gt;</code><em>.
We do not yet support free-threaded Python on Windows
(<code>PYTHON-5027</code></em>) or with In-Use Encryption
(<code>PYTHON-5024</code>_).</li>

<li>:attr:<code>~pymongo.asynchronous.mongo_client.AsyncMongoClient.address</code>
and
:attr:<code>~pymongo.mongo_client.MongoClient.address</code> now
correctly block when called on unconnected clients
until either connection succeeds or a server selection timeout error is
raised.</li>
<li>Added :func:<code>repr</code> support to
:class:<code>pymongo.operations.IndexModel</code>.</li>
<li>Added :func:<code>repr</code> support to
:class:<code>pymongo.operations.SearchIndexModel</code>.</li>
<li>Added <code>sort</code> parameter to
:meth:<code>~pymongo.collection.Collection.update_one</code>,
:meth:<code>~pymongo.collection.Collection.replace_one</code>,
:class:<code>~pymongo.operations.UpdateOne</code>, and
:class:<code>~pymongo.operations.UpdateMany</code>,</li>
<li>:meth:<code>~pymongo.mongo_client.MongoClient.bulk_write</code> and

:meth:<code>~pymongo.asynchronous.mongo_client.AsyncMongoClient.bulk_write</code>
now throw an error
when <code>ordered=True</code> or <code>verboseResults=True</code> are
used with unacknowledged writes.
These are unavoidable breaking changes.</li>
<li>Fixed a bug in :const:<code>bson.json_util.dumps</code> where a
:class:<code>bson.datetime_ms.DatetimeMS</code> would
be incorrectly encoded as <code>'{&quot;$date&quot;:
&quot;X&quot;}'</code> instead of <code>'{&quot;$date&quot;: X}'</code>
when using the
legacy MongoDB Extended JSON datetime representation.</li>
<li>Fixed a bug where :const:<code>bson.json_util.loads</code> would
raise an IndexError when parsing an invalid
<code>&quot;$date&quot;</code> instead of a ValueError.</li>
</ul>
<p>Issues Resolved
...............</p>
<p>See the <code>PyMongo 4.11 release notes in JIRA</code>_ for the list
of resolved issues
in this release.</p>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/d175edff9f1160e9259e7a8872c168a4fe445399"><code>d175edf</code></a>
BUMP 4.11.1</li>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/4a6aae8f4364d87a0ea2b10c7745a0000ea83513"><code>4a6aae8</code></a>
PYTHON-5125 Prep for 4.11.1 release (<a
href="https://redirect.github.com/mongodb/mongo-python-driver/issues/2137">#2137</a>)</li>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/c83f34c826d23c15905d77337d2356d297bc404e"><code>c83f34c</code></a>
PYTHON-5047 Do not run nightly release check on forks (<a
href="https://redirect.github.com/mongodb/mongo-python-driver/issues/2134">#2134</a>)</li>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/e15b820f719571ad7182e762ccd2ee183daa491a"><code>e15b820</code></a>
PYTHON-5058 Restore alternate architecture builds (<a
href="https://redirect.github.com/mongodb/mongo-python-driver/issues/2133">#2133</a>)</li>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/3c9a248bba442cbdd0999807d6582cb1aef11df1"><code>3c9a248</code></a>
Update ReadTheDocs to include django-mongodb-backend (<a
href="https://redirect.github.com/mongodb/mongo-python-driver/issues/2084">#2084</a>)</li>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/f1a8af160d21d0fe3c88c782e5219fd621344395"><code>f1a8af1</code></a>
PYTHON-5047 Fix dry run logic in releases yet again (<a
href="https://redirect.github.com/mongodb/mongo-python-driver/issues/2098">#2098</a>)</li>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/d0301307a0f6b8a771c5b927e583630104dc59ab"><code>d030130</code></a>
PYTHON-5112 - Fix just install (<a
href="https://redirect.github.com/mongodb/mongo-python-driver/issues/2095">#2095</a>)</li>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/ed21a181721eb3644f3106f82be6a5f7c611d2d8"><code>ed21a18</code></a>
PYTHON-5047 Fix dry run logic in releases again (<a
href="https://redirect.github.com/mongodb/mongo-python-driver/issues/2092">#2092</a>)</li>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/cae161ecddbc9c380c21b675da8c042603450c63"><code>cae161e</code></a>
BUMP 4.11</li>
<li><a
href="https://github.com/mongodb/mongo-python-driver/commit/dc2993835eaeacb2dcb08969afafcbddf08f41fb"><code>dc29938</code></a>
PYTHON-5047 Fix dry run logic in releases (<a
href="https://redirect.github.com/mongodb/mongo-python-driver/issues/2083">#2083</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/mongodb/mongo-python-driver/compare/4.10.1...4.11.1">compare
view</a></li>
</ul>
</details>
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Signed-off-by: dependabot[bot] <[email protected]>
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Bumps [shakenbreak](https://github.com/SMTG-Bham/shakenbreak) from 3.4.0
to 3.4.1.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/SMTG-Bham/shakenbreak/releases">shakenbreak's
releases</a>.</em></p>
<blockquote>
<h2>3.4.1</h2>
<ul>
<li>Updated handling of Dimer distortions:
<ul>
<li>The default dimer bond lengths are now set to match known covalent
bond lengths (e.g. for O-O, S-S,
O-N etc), or failing that, the sum of their covalent radii (rather than
prev hard default of 2 Å).</li>
<li>Alternatively, dimer bond lengths can be specified by the user, both
in the <code>distortions</code> functions
and in the higher level <code>shakenbreak.input</code> functions/classes
(i.e. in <code>Distortions</code>).</li>
</ul>
</li>
<li>Added <code>distort_and_rattle</code> convenience function to
<code>distortions</code>, to easily apply the SnB distortions
and rattling (where rattling is not applied to the bond-distorted atoms)
to a given structure. Useful for
power users.</li>
<li>Minor code streamlining and simplification in
<code>inputs</code>/<code>distortions</code>.</li>
</ul>
</blockquote>
</details>
<details>
<summary>Changelog</summary>
<p><em>Sourced from <a
href="https://github.com/SMTG-Bham/ShakeNBreak/blob/main/CHANGELOG.rst">shakenbreak's
changelog</a>.</em></p>
<blockquote>
<h2>v3.4.1</h2>
<ul>
<li>Updated handling of Dimer distortions:
<ul>
<li>The default dimer bond lengths are now set to match known covalent
bond lengths (e.g. for O-O, S-S,
O-N etc), or failing that, the sum of their covalent radii (rather than
prev hard default of 2 Å).</li>
<li>Alternatively, dimer bond lengths can be specified by the user, both
in the <code>distortions</code> functions
and in the higher level <code>shakenbreak.input</code> functions/classes
(i.e. in <code>Distortions</code>).</li>
</ul>
</li>
<li>Added <code>distort_and_rattle</code> convenience function to
<code>distortions</code>, to easily apply the SnB distortions
and rattling (where rattling is not applied to the bond-distorted atoms)
to a given structure. Useful for
power users.</li>
<li>Minor code streamlining and simplification in
<code>inputs</code>/<code>distortions</code>.</li>
</ul>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/bed6e0f08a218e16735db050a281c931c3f95a0e"><code>bed6e0f</code></a>
Merge pull request <a
href="https://redirect.github.com/SMTG-Bham/shakenbreak/issues/83">#83</a>
from SMTG-Bham/develop</li>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/1b4ed95ad17c57935a2781ef456645da49ed2dad"><code>1b4ed95</code></a>
CodeRabbit cleanup suggestions</li>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/90202f3243ffdb3533c5b291544e2efa314ed20f"><code>90202f3</code></a>
Update <code>test_cli</code> and <code>test_analysis</code></li>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/bdf35e54c83c42a553a434ca3a217435f487a841"><code>bdf35e5</code></a>
Update CHANGELOG and bump version for release</li>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/a61d24d0dbdb94f996004d09b36efde2b4d71c8a"><code>a61d24d</code></a>
Allow <code>dimer_bond_length</code> to be set in
<code>Distortions</code>, and test</li>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/e2528fc6c266e6ac426a223ec76395036f4a2c2c"><code>e2528fc</code></a>
Update and expanded <code>test_input</code> for dimer tests</li>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/dba68d8503b9557310883d0c7a2f3c98ac5b9873"><code>dba68d8</code></a>
Update and expanded <code>test_input</code> for dimer tests</li>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/d86f0a339c22fb82997a8f7c26903e6d356e64e9"><code>d86f0a3</code></a>
Add <code>get_dimer_bond_length</code> tests</li>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/584c633a942240347f73a799f2cdcb653909537f"><code>584c633</code></a>
Add and use <code>get_dimer_bond_length</code> in dimer generation</li>
<li><a
href="https://github.com/SMTG-Bham/ShakeNBreak/commit/20b074608a75576c6d349f7041bf1f279ca87bfc"><code>20b0746</code></a>
Add dimer bond length tests to <code>test_input</code></li>
<li>Additional commits viewable in <a
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Bumps [prefect[dask]](https://github.com/PrefectHQ/prefect) from 3.2.0
to 3.2.2.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/PrefectHQ/prefect/releases">prefect[dask]'s
releases</a>.</em></p>
<blockquote>
<h2>Time is a flat circle</h2>
<!-- raw HTML omitted -->
<p>Notably, includes a <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17123">fix</a>
for multiple schedules with the same interval and different
parameters.</p>
<h2>What's Changed</h2>
<h3>Bug Fixes 🐞</h3>
<ul>
<li>update idempotency key for scheduled runs to disambiguate schedules
by <a href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17123">PrefectHQ/prefect#17123</a></li>
</ul>
<h3>Integrations &amp; Dependencies 🤝</h3>
<ul>
<li>fix sed command in integration release CI by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17083">PrefectHQ/prefect#17083</a></li>
<li><code>prefect-snowflake</code> - Bump snowflake dependency by <a
href="https://github.com/seanpwlms"><code>@​seanpwlms</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17098">PrefectHQ/prefect#17098</a></li>
</ul>
<h3>Development &amp; Tidiness 🧹</h3>
<ul>
<li>consolidate use of <code>pendulum</code> in <code>prefect.cli</code>
by <a href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17078">PrefectHQ/prefect#17078</a></li>
<li>pendulum consolidation in <code>prefect.client</code> by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17099">PrefectHQ/prefect#17099</a></li>
<li>pendulum consolidation in <code>prefect.concurrency</code> by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17102">PrefectHQ/prefect#17102</a></li>
<li>pendulum consolidation in several modules by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17103">PrefectHQ/prefect#17103</a></li>
</ul>
<h3>Documentation 📓</h3>
<ul>
<li>Add <code>PrefectDbtRunner</code> docs by <a
href="https://github.com/kevingrismore"><code>@​kevingrismore</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17055">PrefectHQ/prefect#17055</a></li>
<li>Update <code>prefect-dbt</code> prerelease install command with
<code>-U</code> by <a
href="https://github.com/kevingrismore"><code>@​kevingrismore</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17088">PrefectHQ/prefect#17088</a></li>
<li>Update formatting of Prefect History timeline by <a
href="https://github.com/discdiver"><code>@​discdiver</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17114">PrefectHQ/prefect#17114</a></li>
<li>Remove link in ECS Guide by <a
href="https://github.com/discdiver"><code>@​discdiver</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17119">PrefectHQ/prefect#17119</a></li>
<li>Docs: Update GCP integration docs by <a
href="https://github.com/seanpwlms"><code>@​seanpwlms</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17097">PrefectHQ/prefect#17097</a></li>
<li>change docs sidebar items by <a
href="https://github.com/aaazzam"><code>@​aaazzam</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17128">PrefectHQ/prefect#17128</a></li>
</ul>
<h3>Uncategorized</h3>
<ul>
<li>Fix printing <code>flow_run_id</code> in Abort case of engine by <a
href="https://github.com/peterbygrave"><code>@​peterbygrave</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17087">PrefectHQ/prefect#17087</a></li>
<li>consolidate <code>pendulum</code> use in
<code>prefect._internal</code> by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17072">PrefectHQ/prefect#17072</a></li>
<li>Add missing <code>load_function_and_convert_to_flow</code> by <a
href="https://github.com/jakekaplan"><code>@​jakekaplan</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17086">PrefectHQ/prefect#17086</a></li>
<li>Fix bug where schedules without a slug or active raise a 500 by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17091">PrefectHQ/prefect#17091</a></li>
<li>Migrate some <code>pendulum</code> usage to internal shim by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17074">PrefectHQ/prefect#17074</a></li>
<li>Consolidate <code>pendulum</code> usage in
<code>prefect.server.services</code> by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17100">PrefectHQ/prefect#17100</a></li>
<li>Consolidate <code>pendulum</code> usage in
<code>prefect.server</code> by <a
href="https://github.com/desertaxle"><code>@​desertaxle</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17104">PrefectHQ/prefect#17104</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/PrefectHQ/prefect/compare/3.2.1...3.2.2">https://github.com/PrefectHQ/prefect/compare/3.2.1...3.2.2</a></p>
<h2>3.2.2.dev2: Nightly Development Release</h2>
<!-- raw HTML omitted -->
<h2>What's Changed</h2>
<h3>Bug Fixes 🐞</h3>
<ul>
<li>update idempotency key for scheduled runs to disambiguate schedules
by <a href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17123">PrefectHQ/prefect#17123</a></li>
</ul>
<h3>Documentation 📓</h3>
<ul>
<li>Update formatting of Prefect History timeline by <a
href="https://github.com/discdiver"><code>@​discdiver</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17114">PrefectHQ/prefect#17114</a></li>
<li>Remove link in ECS Guide by <a
href="https://github.com/discdiver"><code>@​discdiver</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17119">PrefectHQ/prefect#17119</a></li>
<li>Docs: Update GCP integration docs by <a
href="https://github.com/seanpwlms"><code>@​seanpwlms</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17097">PrefectHQ/prefect#17097</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/PrefectHQ/prefect/compare/3.2.2.dev1...3.2.2.dev2">https://github.com/PrefectHQ/prefect/compare/3.2.2.dev1...3.2.2.dev2</a></p>
<h2>Everything flows and nothing abides</h2>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/d982c69a8bd4fb92cb250bc91dea25d361601260"><code>d982c69</code></a>
change docs sidebar items (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17128">#17128</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/6c3ee1fd1f65cdb99d02edcca614a242c88377cd"><code>6c3ee1f</code></a>
update idempotency key for scheduled runs to disambiguate schedules (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17123">#17123</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/2df84e40c54d86e36cd285fd8bece1b4116477a3"><code>2df84e4</code></a>
Docs: Update GCP integration docs (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17097">#17097</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/61ea3316392d0e11b55ce202e32aaaec352f7bdb"><code>61ea331</code></a>
Remove link in ECS Guide (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17119">#17119</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/166d460b281a665ba36d974b47ae36bb8e1509f5"><code>166d460</code></a>
chore(deps): bump the ui-v2-dependencies group across 1 directory with
48 upd...</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/d20837180b38979ce0f3926ba7950ae180de7547"><code>d208371</code></a>
Devan/eng 1247 artifactsartifactid (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17053">#17053</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/ee9cfcafd5b1ee98ee7ce6cdf71b59aa22bd834e"><code>ee9cfca</code></a>
Update formatting of Prefect History timeline (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17114">#17114</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/e6aa65718b05d93dadee4347f721ea9898570d50"><code>e6aa657</code></a>
Consolidate <code>pendulum</code> usage in <code>prefect.server</code>
(<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17104">#17104</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/4f42582836c314195edf16dc3fc401efd11d6db4"><code>4f42582</code></a>
[UI v2] chore: Updates deployment details page route data loading (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17089">#17089</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/e6f9972552a2fea4b58ddb6f63dd157cbb467fe3"><code>e6f9972</code></a>
[UI v2] chore: move artifact type.d.ts to just types.ts (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17107">#17107</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/PrefectHQ/prefect/compare/3.2.0...3.2.2">compare
view</a></li>
</ul>
</details>
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Signed-off-by: dependabot[bot] <[email protected]>
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…s#2671)

Bumps [dask[distributed]](https://github.com/dask/dask) from 2025.1.0 to
2025.2.0.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/dask/dask/releases">dask[distributed]'s
releases</a>.</em></p>
<blockquote>
<h2>2025.2.0</h2>
<h2>Changes</h2>
<ul>
<li>Add big array example <a
href="https://github.com/jrbourbeau"><code>@​jrbourbeau</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11744">#11744</a>)</li>
<li>Fix exploding chunksizes in pad for constant padding <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11743">#11743</a>)</li>
<li>Move optimize method to base class <a
href="https://github.com/fjetter"><code>@​fjetter</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11742">#11742</a>)</li>
<li>Add changelog entry for fixed deadlock <a
href="https://github.com/hendrikmakait"><code>@​hendrikmakait</code></a>
(<a
href="https://redirect.github.com/dask/dask/issues/11741">#11741</a>)</li>
<li>Fix graph creation in dask-expr to_delayed <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11739">#11739</a>)</li>
<li>Remove culling from delayed optimisation <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11737">#11737</a>)</li>
<li>Compute meta for from_map on the cluster <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11738">#11738</a>)</li>
<li>Bugs in <code>__setitem__</code> with dask bool mask <a
href="https://github.com/crusaderky"><code>@​crusaderky</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11728">#11728</a>)</li>
<li>Implement infrastructure, random, blockwise and Elemwise <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11689">#11689</a>)</li>
<li>array/asarray with both like= and dtype= <a
href="https://github.com/crusaderky"><code>@​crusaderky</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11733">#11733</a>)</li>
<li>Fix annotations warnings test <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11734">#11734</a>)</li>
<li>Catch warnings when writing to remote storage with to_parquet <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11731">#11731</a>)</li>
<li>Remove LocalCluster from tests <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11729">#11729</a>)</li>
<li>Fix partition pruning when using from_array <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11725">#11725</a>)</li>
<li>Fix concatentation with mixed dtype columns <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11727">#11727</a>)</li>
<li><code>arange</code>: fix extreme values <a
href="https://github.com/crusaderky"><code>@​crusaderky</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11707">#11707</a>)</li>
<li>Graph corruption on scalar getitem-&gt;setitem <a
href="https://github.com/crusaderky"><code>@​crusaderky</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11723">#11723</a>)</li>
<li>array: Never share buffers after compute() <a
href="https://github.com/crusaderky"><code>@​crusaderky</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11697">#11697</a>)</li>
<li>Extract Dask Array from xarray DataArray in from_array <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11712">#11712</a>)</li>
<li><code>arange</code>: support kwargs <a
href="https://github.com/crusaderky"><code>@​crusaderky</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11710">#11710</a>)</li>
<li>Ensure <code>normalize_token</code> is threadsafe <a
href="https://github.com/fjetter"><code>@​fjetter</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11709">#11709</a>)</li>
<li>Expand advise for instance types and processes <a
href="https://github.com/fjetter"><code>@​fjetter</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11705">#11705</a>)</li>
<li>Drop legacy timeseries implementation <a
href="https://github.com/fjetter"><code>@​fjetter</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11704">#11704</a>)</li>
<li>Update Dask Cloud Provider documentation to include Nebius as a
supported cloud option <a
href="https://github.com/SalikovAlex"><code>@​SalikovAlex</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11703">#11703</a>)</li>
<li>Fix normalize_chunks when squashing into a single chunk <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11702">#11702</a>)</li>
<li>Fix positional indexing with newaxis <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11699">#11699</a>)</li>
<li>Set array backend in scipy-sparse-indexing <a
href="https://github.com/TomAugspurger"><code>@​TomAugspurger</code></a>
(<a
href="https://redirect.github.com/dask/dask/issues/11700">#11700</a>)</li>
<li>Fix value_counts shuffling strategy <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11698">#11698</a>)</li>
<li>Disentangle core expression class from dataframe specific code <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11688">#11688</a>)</li>
<li>Bump conda-incubator/setup-miniconda from 3.1.0 to 3.1.1 @<a
href="https://github.com/apps/dependabot">dependabot[bot]</a> (<a
href="https://redirect.github.com/dask/dask/issues/11685">#11685</a>)</li>
<li>Fixup dataframe conversion from array methods <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11684">#11684</a>)</li>
<li>Remove remaining artifacts of fastparquet <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11682">#11682</a>)</li>
<li>Updated docs on local file system <a
href="https://github.com/TomAugspurger"><code>@​TomAugspurger</code></a>
(<a
href="https://redirect.github.com/dask/dask/issues/11677">#11677</a>)</li>
<li>Expose TaskSpec objects for downstream projects <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11675">#11675</a>)</li>
<li>Rename optimize_slices function <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11673">#11673</a>)</li>
<li>Fixup changelog entry <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11674">#11674</a>)</li>
<li>Add changelog for dataframe removal <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11654">#11654</a>)</li>
<li>Pass read_only properly to zarr stores <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11668">#11668</a>)</li>
<li>Revert &quot;Revert &quot;Add <code>scikit-image</code> nightly back
to upstream CI&quot;&quot; <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11667">#11667</a>)</li>
<li>Avoid Dict in fused tasks <a
href="https://github.com/hendrikmakait"><code>@​hendrikmakait</code></a>
(<a
href="https://redirect.github.com/dask/dask/issues/11657">#11657</a>)</li>
<li>Fix filtering on parquet file containing a struct column <a
href="https://github.com/rjzamora"><code>@​rjzamora</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11665">#11665</a>)</li>
<li>Fix merge asof simplify after lowering <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11658">#11658</a>)</li>
<li>Add redirects for groupby docs after dask-expr merge <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11661">#11661</a>)</li>
<li>Rename remote store to FsspecStore <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11660">#11660</a>)</li>
<li>Reintroduce slice fusion <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11638">#11638</a>)</li>
<li>Add <code>\_\_all\_\_</code> to init <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11664">#11664</a>)</li>
<li>Expose downstream utilities for dask.dataframe <a
href="https://github.com/phofl"><code>@​phofl</code></a> (<a
href="https://redirect.github.com/dask/dask/issues/11662">#11662</a>)</li>
</ul>
<!-- raw HTML omitted -->
</blockquote>
<p>... (truncated)</p>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/dask/dask/commit/4d71629d1f22ced0dd780919f22e70a642ec6753"><code>4d71629</code></a>
Version 2025.2.0</li>
<li><a
href="https://github.com/dask/dask/commit/c3f6017884535b8da5e47c993cb8f1dd22fc4f6c"><code>c3f6017</code></a>
Add big array example (<a
href="https://redirect.github.com/dask/dask/issues/11744">#11744</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/b31aa7993ffdb1ab58d63cf4875e9a85d2f530c7"><code>b31aa79</code></a>
Fix exploding chunksizes in pad for constant padding (<a
href="https://redirect.github.com/dask/dask/issues/11743">#11743</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/d5070e84cf15a9bce4436f0d93c9c3c03d5975c7"><code>d5070e8</code></a>
Move optimize method to base class (<a
href="https://redirect.github.com/dask/dask/issues/11742">#11742</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/c44f7d0115162c9d1163e866fbf0f2dd7a3b8ad9"><code>c44f7d0</code></a>
Add changelog entry for fixed deadlock (<a
href="https://redirect.github.com/dask/dask/issues/11741">#11741</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/430a95113f1448e4df16d1197774d0f986a20057"><code>430a951</code></a>
Fix graph creation in dask-expr to_delayed (<a
href="https://redirect.github.com/dask/dask/issues/11739">#11739</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/0b1e23e61a39ccea55936a7cb32115786f2ea5ac"><code>0b1e23e</code></a>
Remove culling from delayed optimisation (<a
href="https://redirect.github.com/dask/dask/issues/11737">#11737</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/cf0efc4151073495b85220d33ed974851134f407"><code>cf0efc4</code></a>
Compute meta for from_map on the cluster (<a
href="https://redirect.github.com/dask/dask/issues/11738">#11738</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/182ef94e1d443708f52b14b63107ea4c6f0e0cd6"><code>182ef94</code></a>
Bugs in <code>__setitem__</code> with dask bool mask (<a
href="https://redirect.github.com/dask/dask/issues/11728">#11728</a>)</li>
<li><a
href="https://github.com/dask/dask/commit/a77628cbae4fb2af6bae634eeaa064616decf5f5"><code>a77628c</code></a>
Implement infrastructure, random, blockwise and Elemwise (<a
href="https://redirect.github.com/dask/dask/issues/11689">#11689</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/dask/dask/compare/2025.1.0...2025.2.0">compare
view</a></li>
</ul>
</details>
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…rs#2670)

Bumps [parsl[monitoring]](https://github.com/Parsl/parsl) from 2025.2.3
to 2025.2.10.
<details>
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…ors#2674)

Bumps [parsl[monitoring]](https://github.com/Parsl/parsl) from 2025.2.10
to 2025.2.17.
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/Parsl/parsl/commit/7241f29a293c23453ef1880691f90a2bda4c58c3"><code>7241f29</code></a>
Update signature to match underlying resource (<a
href="https://redirect.github.com/Parsl/parsl/issues/3775">#3775</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/3907e637440cc23c6204b7b03a48f63465f011f5"><code>3907e63</code></a>
Add task info to log line (<a
href="https://redirect.github.com/Parsl/parsl/issues/3776">#3776</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/487a78410f792481be73a4ffda7c67d4ae3300f8"><code>487a784</code></a>
Create and close ZMQ sockets on utilizing thread (<a
href="https://redirect.github.com/Parsl/parsl/issues/3774">#3774</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/ef0c845fad1bf33f89e2c8a09a0b3273b76e189d"><code>ef0c845</code></a>
Add command to get installed packages on managers (<a
href="https://redirect.github.com/Parsl/parsl/issues/3773">#3773</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/91c9b4855022d6103e6ac2e7515ca206ed422f3b"><code>91c9b48</code></a>
Don't pass class variable (<a
href="https://redirect.github.com/Parsl/parsl/issues/3772">#3772</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/a7e1227814793d6cf0cd9e203950fd3956d7341a"><code>a7e1227</code></a>
Make vars function-local (<a
href="https://redirect.github.com/Parsl/parsl/issues/3771">#3771</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/966012329f48e83ad0632659c8d20d2900dc7fcb"><code>9660123</code></a>
Specify instance attributes in init (<a
href="https://redirect.github.com/Parsl/parsl/issues/3770">#3770</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/4dd7fbf37af2ddd03628f05d9631ed275755b9e5"><code>4dd7fbf</code></a>
Guarantee logger exists (<a
href="https://redirect.github.com/Parsl/parsl/issues/3769">#3769</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/4ba0382759f57972b7e8c67c636e1471cf997057"><code>4ba0382</code></a>
Formalize required argument (<a
href="https://redirect.github.com/Parsl/parsl/issues/3768">#3768</a>)</li>
<li><a
href="https://github.com/Parsl/parsl/commit/f20ab8eaf786ded0065b8c5735e147ef78387ca7"><code>f20ab8e</code></a>
Add first unit tests for process_pool_worker (<a
href="https://redirect.github.com/Parsl/parsl/issues/3766">#3766</a>)</li>
<li>Additional commits viewable in <a
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Bumps [prefect[dask]](https://github.com/PrefectHQ/prefect) from 3.2.2
to 3.2.5.
<details>
<summary>Release notes</summary>
<p><em>Sourced from <a
href="https://github.com/PrefectHQ/prefect/releases">prefect[dask]'s
releases</a>.</em></p>
<blockquote>
<h2>Honey, I Shrunk the Dependencies</h2>
<!-- raw HTML omitted -->
<p>This release includes a fix for <a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17182">PrefectHQ/prefect#17182</a>,
where <code>pull</code> steps were not correctly updated upon changes to
a given deployment.</p>
<h2>What's Changed</h2>
<h3>Bug Fixes 🐞</h3>
<ul>
<li>Fix update logic to account for pull_steps by <a
href="https://github.com/cicdw"><code>@​cicdw</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17185">PrefectHQ/prefect#17185</a></li>
</ul>
<h3>Development &amp; Tidiness 🧹</h3>
<ul>
<li>fix paths in GHAs by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17183">PrefectHQ/prefect#17183</a></li>
<li>rm croniter dep by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17187">PrefectHQ/prefect#17187</a></li>
<li>vendor croniter by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17165">PrefectHQ/prefect#17165</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/PrefectHQ/prefect/compare/3.2.4...3.2.5">https://github.com/PrefectHQ/prefect/compare/3.2.4...3.2.5</a></p>
<h2>Every time we have a good release name, something goes wrong so
here's a bad release name</h2>
<!-- raw HTML omitted -->
<h2>fixes issue with <code>3.2.3</code></h2>
<p>There was a packaging bug with 3.2.3 where the UI was not included in
the published wheel due to project configuration changes, which this
release resolves.</p>
<h2>What's Changed</h2>
<ul>
<li>Remove &quot;Pod ... has started.&quot; log from
<code>KubernetesWorker</code> by <a
href="https://github.com/kevingrismore"><code>@​kevingrismore</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17174">PrefectHQ/prefect#17174</a></li>
<li>add <code>server/ui</code> to wheel by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17176">PrefectHQ/prefect#17176</a></li>
</ul>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/PrefectHQ/prefect/compare/3.2.3...3.2.4">https://github.com/PrefectHQ/prefect/compare/3.2.3...3.2.4</a></p>
<h2>The Config is Coming From Inside the pyproject.toml</h2>
<!-- raw HTML omitted -->
<h2>What's Changed</h2>
<h3>Development &amp; Tidiness 🧹</h3>
<ul>
<li>Migrate to <code>pyproject.toml</code> by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17116">PrefectHQ/prefect#17116</a></li>
<li>consolidate use of <code>pendulum</code> in <code>tests/</code>:
part 1 by <a
href="https://github.com/zzstoatzz"><code>@​zzstoatzz</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17106">PrefectHQ/prefect#17106</a></li>
</ul>
<h3>Documentation 📓</h3>
<ul>
<li>Fix link to dbt programmatic invocation by <a
href="https://github.com/kevingrismore"><code>@​kevingrismore</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17131">PrefectHQ/prefect#17131</a></li>
<li>Update SDK docs links by <a
href="https://github.com/seanpwlms"><code>@​seanpwlms</code></a> in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17138">PrefectHQ/prefect#17138</a></li>
<li>Adds AWS PrivateLink documentation by <a
href="https://github.com/prefectcboyd"><code>@​prefectcboyd</code></a>
in <a
href="https://redirect.github.com/PrefectHQ/prefect/pull/17076">PrefectHQ/prefect#17076</a></li>
</ul>
<h3>Uncategorized</h3>
<p><strong>Full Changelog</strong>: <a
href="https://github.com/PrefectHQ/prefect/compare/3.2.2...3.2.3">https://github.com/PrefectHQ/prefect/compare/3.2.2...3.2.3</a></p>
</blockquote>
</details>
<details>
<summary>Commits</summary>
<ul>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/168280f75a7c7cbd871a0cfbbde8a8bfc1834026"><code>168280f</code></a>
rm croniter dep (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17187">#17187</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/f09eb6d0c95df674e0668d674e0aa46872808d43"><code>f09eb6d</code></a>
fix paths in GHAs (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17183">#17183</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/2040ad06efa3bf52b4ab025d2a9458e2da0bf4f9"><code>2040ad0</code></a>
Fix update logic to account for pull_steps (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17185">#17185</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/d8b0ade72a6a28bf404124d9036dd0887e8b806c"><code>d8b0ade</code></a>
[UI v2] feat: Adds delete flow run mutation (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17181">#17181</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/7552ae2179a73dc296c8dadd5cb61c78052a41e4"><code>7552ae2</code></a>
[UI v2] feat: Adds total flow run counter to data table (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17180">#17180</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/3fa131368278cddd865802090b70c2ec5c971e8b"><code>3fa1313</code></a>
vendor croniter (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17165">#17165</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/65257bc844658d3487153997d359c6cbe22f8b7c"><code>65257bc</code></a>
[UI v2] feat: Adds StartTimeCell to flow run data table (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17179">#17179</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/87aa8840867458151cb7c90ca4289808daf3cb0d"><code>87aa884</code></a>
[UI v2] feat: Adds Duration cell to flow run data table (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17177">#17177</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/df39d5e5aa120633c6d0a420cb6af726571dad79"><code>df39d5e</code></a>
[UI v2] feat: Adds parameters cell to flow run table (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17170">#17170</a>)</li>
<li><a
href="https://github.com/PrefectHQ/prefect/commit/701e7f4891ec22af2cc202c9747be8763a5153f1"><code>701e7f4</code></a>
[UI v2] feat: Start flow runs data table UX (<a
href="https://redirect.github.com/PrefectHQ/prefect/issues/17168">#17168</a>)</li>
<li>Additional commits viewable in <a
href="https://github.com/PrefectHQ/prefect/compare/3.2.2...3.2.5">compare
view</a></li>
</ul>
</details>
<br />


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