From 611a43b6812136da298e9bd91e5d97340899de03 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 11 Nov 2024 19:03:27 -0500 Subject: [PATCH 01/22] Bump parsl[monitoring] from 2024.10.28 to 2024.11.4 (#2528) Bumps [parsl[monitoring]](https://github.com/Parsl/parsl) from 2024.10.28 to 2024.11.4.
Commits

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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-parsl.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-parsl.txt b/tests/requirements-parsl.txt index 3d62bc05e2..0065cd53da 100644 --- a/tests/requirements-parsl.txt +++ b/tests/requirements-parsl.txt @@ -1 +1 @@ -parsl[monitoring]==2024.10.28 +parsl[monitoring]==2024.11.4 From e5e7d7b54a5c700539a22a151ec356355a09abaf Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 11 Nov 2024 19:03:37 -0500 Subject: [PATCH 02/22] Bump dask[distributed] from 2024.10.0 to 2024.11.1 (#2530) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [dask[distributed]](https://github.com/dask/dask) from 2024.10.0 to 2024.11.1.
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2024.11.1

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2024.11.0

Changes

... (truncated)

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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-dask.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-dask.txt b/tests/requirements-dask.txt index 6257575ea7..4f4bd7f129 100644 --- a/tests/requirements-dask.txt +++ b/tests/requirements-dask.txt @@ -1,2 +1,2 @@ -dask[distributed]==2024.10.0 +dask[distributed]==2024.11.1 dask-jobqueue==0.9.0 From 387a209556341ac074f2bdecc7f82b9a85a3f1ea Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 11 Nov 2024 19:03:43 -0500 Subject: [PATCH 03/22] Bump phonopy from 2.29.1 to 2.30.0 (#2532) Bumps [phonopy](https://github.com/phonopy/phonopy) from 2.29.1 to 2.30.0.
Changelog

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Nov-9-2024: Version 2.30.0

  • The symfc package (https://github.com/symfc/symfc) was made a necessary package from this version.
  • Default force constants calculator for phonopy-load command was changed to symfc. The previous behaviour is recovered by phonopy-load --fc-calculator traditional.
Commits
  • e6757a1 Merge branch 'develop'
  • bd79d90 Merge pull request #447 from phonopy/release
  • f8c2832 Set version 2.30.0
  • c55106b Merge pull request #446 from phonopy/phonopy-load-symfc
  • 35e0d81 Add python 3.13 in CI
  • eecb585 Symfc as default when phonopy-load
  • ec3ca0e Merge pull request #445 from phonopy/pre-commit-ci-update-config
  • 4aac706 [pre-commit.ci] pre-commit autoupdate
  • ebd51cf Merge pull request #443 from phonopy/pre-commit-ci-update-config
  • c6c10f7 [pre-commit.ci] pre-commit autoupdate
  • See full diff in compare view

[![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=phonopy&package-manager=pip&previous-version=2.29.1&new-version=2.30.0)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting `@dependabot rebase`. [//]: # (dependabot-automerge-start) [//]: # (dependabot-automerge-end) ---
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-phonons.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-phonons.txt b/tests/requirements-phonons.txt index db15c092de..037797dd51 100644 --- a/tests/requirements-phonons.txt +++ b/tests/requirements-phonons.txt @@ -1,2 +1,2 @@ -phonopy==2.29.1 +phonopy==2.30.0 seekpath==2.1.0 From 48773d526c6f1631e445d99345e47eccc377c849 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 13 Nov 2024 13:58:31 -0500 Subject: [PATCH 04/22] Bump prefect[dask] from 3.1.0 to 3.1.1 (#2529) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [prefect[dask]](https://github.com/PrefectHQ/prefect) from 3.1.0 to 3.1.1.
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3.1.1: Around the Codebase in 80 PRs

Enhancements ➕➕

Bug Fixes 🐞

Integrations & Dependencies 🤝

Development & Tidiness 🧹

New Contributors

Full Changelog: https://github.com/PrefectHQ/prefect/compare/3.1.0...3.1.1

3.1.1.dev6: Nightly Development Release

What's Changed

Enhancements ➕➕

Bug Fixes 🐞

Development & Tidiness 🧹

Uncategorized

... (truncated)

Commits
  • 6b50a2b Add in a link to the worker logs page (#15958)
  • 41d3906 Fix the direction of our integration string replacement (#15959)
  • d6a4842 Setup OpenTelemetry exporters when initializing prefect (#15946)
  • 2624409 Update typer requirement from !=0.12.2,<0.13.0,>=0.12.0 to >=0.12.0,!=0.12.2,...
  • 11ce49a Fix some nits in the worker logging docs (#15948)
  • 31568a6 Update @​prefecthq/prefect-ui-library to version 3.11.15 (#15947)
  • a7d270b Add documentation on worker logs (#15920)
  • 1c0dbaa Include worker ID with worker-originated flow run logs (#15941)
  • 6d357da fix flow run graph endpoint for nested task runs (#15939)
  • f184d0a Fix typo on self-host.mdx (#15936)
  • Additional commits viewable in compare view

[![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=prefect[dask]&package-manager=pip&previous-version=3.1.0&new-version=3.1.1)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting `@dependabot rebase`. [//]: # (dependabot-automerge-start) [//]: # (dependabot-automerge-end) ---
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-prefect.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-prefect.txt b/tests/requirements-prefect.txt index 4c6612b720..2fe2c822a1 100644 --- a/tests/requirements-prefect.txt +++ b/tests/requirements-prefect.txt @@ -1,2 +1,2 @@ dask-jobqueue==0.9.0 -prefect[dask]==3.1.0 +prefect[dask]==3.1.1 From 8e4b778770402872df987e9fbee1d5f0c72aab3b Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 13 Nov 2024 21:41:12 -0500 Subject: [PATCH 05/22] Bump typer from 0.12.5 to 0.13.0 (#2531) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [typer](https://github.com/fastapi/typer) from 0.12.5 to 0.13.0.
Release notes

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0.13.0

Features

Fixes

  • 🐛 Fix equality check for custom classes. PR #979 by @​AryazE.
  • 🐛 Allow colon in zsh autocomplete values and descriptions. PR #988 by @​snapbug.

Refactors

Internal

... (truncated)

Changelog

Sourced from typer's changelog.

0.13.0

Features

Fixes

  • 🐛 Fix equality check for custom classes. PR #979 by @​AryazE.
  • 🐛 Allow colon in zsh autocomplete values and descriptions. PR #988 by @​snapbug.

Refactors

Internal

... (truncated)

Commits
  • 7bf84ab 🔖 Release version 0.13.0
  • e80ba57 📝 Update release notes
  • c5233c0 ✨ Handle KeyboardInterrupt separately from other exceptions (#1039)
  • e31fc57 📝 Update release notes
  • ee072d8 ✨ Update launch to not print anything when opening urls (#1035)
  • af49fda 📝 Update release notes
  • dc1bf3c 🐛 Fix equality check for custom classes (#979)
  • bfb54c0 📝 Update release notes
  • ebb968e 🐛 Allow colon in zsh autocomplete values and descriptions (#988)
  • 438ae44 📝 Update release notes
  • Additional commits viewable in compare view

[![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=typer&package-manager=pip&previous-version=0.12.5&new-version=0.13.0)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting `@dependabot rebase`. [//]: # (dependabot-automerge-start) [//]: # (dependabot-automerge-end) ---
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Andrew S. Rosen --- tests/requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements.txt b/tests/requirements.txt index bd434fb1bb..e554d7269d 100644 --- a/tests/requirements.txt +++ b/tests/requirements.txt @@ -9,4 +9,4 @@ pydantic==2.9.2 pydantic-settings==2.6.1 pymatgen==2024.10.3 ruamel.yaml==0.18.6 -typer==0.12.5 +typer==0.13.0 From 70be3d677115773c30c67efedd08ce3c5e770905 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:27:16 -0500 Subject: [PATCH 06/22] Bump codecov/codecov-action from 4 to 5 (#2544) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [codecov/codecov-action](https://github.com/codecov/codecov-action) from 4 to 5.
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v5.0.0

v5 Release

v5 of the Codecov GitHub Action will use the Codecov Wrapper to encapsulate the CLI. This will help ensure that the Action gets updates quicker.

Migration Guide

The v5 release also coincides with the opt-out feature for tokens for public repositories. In the Global Upload Token section of the settings page of an organization in codecov.io, you can set the ability for Codecov to receive a coverage reports from any source. This will allow contributors or other members of a repository to upload without needing access to the Codecov token. For more details see how to upload without a token.

[!WARNING]
The following arguments have been changed

  • file (this has been deprecated in favor of files)
  • plugin (this has been deprecated in favor of plugins)

The following arguments have been added:

  • binary
  • gcov_args
  • gcov_executable
  • gcov_ignore
  • gcov_include
  • report_type
  • skip_validation
  • swift_project

You can see their usage in the action.yml file.

What's Changed

... (truncated)

Changelog

Sourced from codecov/codecov-action's changelog.

4.0.0-beta.2

Fixes

  • #1085 not adding -n if empty to do-upload command

4.0.0-beta.1

v4 represents a move from the universal uploader to the Codecov CLI. Although this will unlock new features for our users, the CLI is not yet at feature parity with the universal uploader.

Breaking Changes

  • No current support for aarch64 and alpine architectures.
  • Tokenless uploading is unsuported
  • Various arguments to the Action have been removed

3.1.4

Fixes

  • #967 Fix typo in README.md
  • #971 fix: add back in working dir
  • #969 fix: CLI option names for uploader

Dependencies

  • #970 build(deps-dev): bump @​types/node from 18.15.12 to 18.16.3
  • #979 build(deps-dev): bump @​types/node from 20.1.0 to 20.1.2
  • #981 build(deps-dev): bump @​types/node from 20.1.2 to 20.1.4

3.1.3

Fixes

  • #960 fix: allow for aarch64 build

Dependencies

  • #957 build(deps-dev): bump jest-junit from 15.0.0 to 16.0.0
  • #958 build(deps): bump openpgp from 5.7.0 to 5.8.0
  • #959 build(deps-dev): bump @​types/node from 18.15.10 to 18.15.12

3.1.2

Fixes

  • #718 Update README.md
  • #851 Remove unsupported path_to_write_report argument
  • #898 codeql-analysis.yml
  • #901 Update README to contain correct information - inputs and negate feature
  • #955 fix: add in all the extra arguments for uploader

Dependencies

  • #819 build(deps): bump openpgp from 5.4.0 to 5.5.0
  • #835 build(deps): bump node-fetch from 3.2.4 to 3.2.10
  • #840 build(deps): bump ossf/scorecard-action from 1.1.1 to 2.0.4
  • #841 build(deps): bump @​actions/core from 1.9.1 to 1.10.0
  • #843 build(deps): bump @​actions/github from 5.0.3 to 5.1.1
  • #869 build(deps): bump node-fetch from 3.2.10 to 3.3.0
  • #872 build(deps-dev): bump jest-junit from 13.2.0 to 15.0.0
  • #879 build(deps): bump decode-uri-component from 0.2.0 to 0.2.2

... (truncated)

Commits

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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- .github/workflows/tests.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/tests.yaml b/.github/workflows/tests.yaml index f19e1b6edf..747fd9d673 100644 --- a/.github/workflows/tests.yaml +++ b/.github/workflows/tests.yaml @@ -380,7 +380,7 @@ jobs: uses: actions/download-artifact@v4 - name: Upload coverage to Codecov - uses: codecov/codecov-action@v4 + uses: codecov/codecov-action@v5 env: CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }} with: From 920a6173c55d8ff27c11be808796cbff6fbdcf5b Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:27:31 -0500 Subject: [PATCH 07/22] Bump tblite from 0.3.0 to 0.4.0 (#2533) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [tblite](https://github.com/tblite/tblite) from 0.3.0 to 0.4.0.
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v0.4.0

Changelog

Documentation

Infrastructure

... (truncated)

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[![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=tblite&package-manager=pip&previous-version=0.3.0&new-version=0.4.0)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting `@dependabot rebase`. [//]: # (dependabot-automerge-start) [//]: # (dependabot-automerge-end) ---
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-tblite.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-tblite.txt b/tests/requirements-tblite.txt index 646c216c68..b7fe55c4aa 100644 --- a/tests/requirements-tblite.txt +++ b/tests/requirements-tblite.txt @@ -1 +1 @@ -tblite==0.3.0 +tblite==0.4.0 From 3b1f72a4dfa8b594363c2015229952328ae6705c Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:27:40 -0500 Subject: [PATCH 08/22] Bump typer from 0.13.0 to 0.13.1 (#2536) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [typer](https://github.com/fastapi/typer) from 0.13.0 to 0.13.1.
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  • 📝 Update markdown includes to use the new simpler format. PR #1054 by @​tiangolo.

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  • 📝 Update markdown includes to use the new simpler format. PR #1054 by @​tiangolo.

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  • 53e21fd 🔖 Release version 0.13.1
  • 77a7216 📝 Update release notes
  • 12459d2 📝 Update markdown includes to use the new simpler format (#1054)
  • f802688 📝 Update release notes
  • 603f39d ✨ Remove Rich tags when showing completion text (#877)
  • 20d4e5c 📝 Update release notes
  • 376b907 🐛 Fix printing HTML from Rich output (#1055)
  • 2f9ce51 📝 Update release notes
  • 5996fc1 ✨ Render Rich markup as HTML in Markdown docs (#847)
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements.txt b/tests/requirements.txt index e554d7269d..13bfd0d7a9 100644 --- a/tests/requirements.txt +++ b/tests/requirements.txt @@ -9,4 +9,4 @@ pydantic==2.9.2 pydantic-settings==2.6.1 pymatgen==2024.10.3 ruamel.yaml==0.18.6 -typer==0.13.0 +typer==0.13.1 From c0b7dbb320a90c648d9d0be97a92150306dd4072 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:27:45 -0500 Subject: [PATCH 09/22] Bump parsl[monitoring] from 2024.11.4 to 2024.11.11 (#2537) Bumps [parsl[monitoring]](https://github.com/Parsl/parsl) from 2024.11.4 to 2024.11.11.
Commits
  • 45d60a8 Remove some SSH channel related test infrastructure (#3693)
  • 3151ca8 TaskVine Executor: add vine tune to manager config (#3692)
  • 166cb03 Fix filesystem radio type annotation: the wrong kind of Queue (#3691)
  • 3fa1599 Remove unused channel directory handling code (#3689)
  • e27f162 Remove remote channel script directory handling (#3688)
  • 0fec4a0 Remove constant LocalChannel.hostname attribute (#3687)
  • b092195 Remove channel closing at shutdown (#3685)
  • b531ecc Remove the opportunity to configure script_dir for LocalChannel (#3684)
  • 0fe4ead Move Channel plugin documentation to a removed section (#3686)
  • 6683f5b Remove Channel.execute_wait environment wait handling, part of #3515 (#3682)
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-parsl.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-parsl.txt b/tests/requirements-parsl.txt index 0065cd53da..b4d5c1ce14 100644 --- a/tests/requirements-parsl.txt +++ b/tests/requirements-parsl.txt @@ -1 +1 @@ -parsl[monitoring]==2024.11.4 +parsl[monitoring]==2024.11.11 From 9364a64375819928a065c888ea28e15fd5de32a2 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:27:52 -0500 Subject: [PATCH 10/22] Bump torch-dftd from 0.4.0 to 0.5.0 (#2539) Bumps torch-dftd from 0.4.0 to 0.5.0. [![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=torch-dftd&package-manager=pip&previous-version=0.4.0&new-version=0.5.0)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting `@dependabot rebase`. [//]: # (dependabot-automerge-start) [//]: # (dependabot-automerge-end) ---
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-mlp.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-mlp.txt b/tests/requirements-mlp.txt index 24f5e823e1..c9b689f95f 100644 --- a/tests/requirements-mlp.txt +++ b/tests/requirements-mlp.txt @@ -1,3 +1,3 @@ chgnet==0.4.0 mace-torch==0.3.6 -torch-dftd==0.4.0 +torch-dftd==0.5.0 From 0bfd70e403d13894fb4ba300391eecacaf7e570d Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:27:57 -0500 Subject: [PATCH 11/22] Bump covalent-cloud from 0.81.0 to 0.84.0 (#2540) Bumps [covalent-cloud](https://github.com/AgnostiqHQ/covalent-cloud-sdk) from 0.81.0 to 0.84.0.
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-covalent.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-covalent.txt b/tests/requirements-covalent.txt index f5a39f9877..ecfba01a42 100644 --- a/tests/requirements-covalent.txt +++ b/tests/requirements-covalent.txt @@ -1,3 +1,3 @@ covalent==0.235.1rc0 -covalent-cloud==0.81.0 +covalent-cloud==0.84.0 covalent-slurm-plugin==0.18.0 From d8fe181931f8ddd0f05954868922a03ac441580b Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:28:19 -0500 Subject: [PATCH 12/22] Bump mace-torch from 0.3.6 to 0.3.8 (#2541) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [mace-torch](https://github.com/ACEsuit/mace) from 0.3.6 to 0.3.8.
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v0.3.8

What's Changed

New Contributors

Full Changelog: https://github.com/ACEsuit/mace/compare/v0.3.7...v0.3.8

v0.3.7

Main new features

What's Changed

... (truncated)

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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Andrew S. Rosen --- tests/requirements-mlp.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-mlp.txt b/tests/requirements-mlp.txt index c9b689f95f..ff5a7d2095 100644 --- a/tests/requirements-mlp.txt +++ b/tests/requirements-mlp.txt @@ -1,3 +1,3 @@ chgnet==0.4.0 -mace-torch==0.3.6 +mace-torch==0.3.8 torch-dftd==0.5.0 From feb8e2b475a0a91cf0d346c96c103c116d8ea93f Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:28:25 -0500 Subject: [PATCH 13/22] Bump dask[distributed] from 2024.11.1 to 2024.11.2 (#2542) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [dask[distributed]](https://github.com/dask/dask) from 2024.11.1 to 2024.11.2.
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2024.11.2

Changes

See the Changelog for more information.

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[![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=dask[distributed]&package-manager=pip&previous-version=2024.11.1&new-version=2024.11.2)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting `@dependabot rebase`. [//]: # (dependabot-automerge-start) [//]: # (dependabot-automerge-end) ---
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-dask.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-dask.txt b/tests/requirements-dask.txt index 4f4bd7f129..591ec87b69 100644 --- a/tests/requirements-dask.txt +++ b/tests/requirements-dask.txt @@ -1,2 +1,2 @@ -dask[distributed]==2024.11.1 +dask[distributed]==2024.11.2 dask-jobqueue==0.9.0 From b6fa94348021cea9edfe08dcabd083ac64d0a3ff Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:28:30 -0500 Subject: [PATCH 14/22] Bump prefect[dask] from 3.1.1 to 3.1.2 (#2543) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [prefect[dask]](https://github.com/PrefectHQ/prefect) from 3.1.1 to 3.1.2.
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3.1.2: Bug Fixes, Chicago Style, Hold the Ketchup

Bug Fixes 🐞

Integrations & Dependencies 🤝

Development & Tidiness 🧹

New Contributors

Full Changelog: https://github.com/PrefectHQ/prefect/compare/3.1.1...3.1.2

3.1.2.dev2: Nightly Development Release

What's Changed

Bug Fixes 🐞

Integrations & Dependencies 🤝

Development & Tidiness 🧹

Uncategorized

... (truncated)

Commits
  • 02b99f0 Persist failed data at random locations (#15991)
  • a876770 Fix bugs in precedence of settings sources for settings with multiple validat...
  • db20a14 Update @​prefecthq/prefect-ui-library to version 3.11.18 (#15994)
  • 62b2637 update asyncio_default_fixture_loop_scope in all collections (#15976)
  • f562ab6 Ensure .env files load only Prefect environment variables (#15975)
  • 46fa10b Update worker to give worker labels to flow runs during submittal (#15983)
  • 61daf53 fix delete block type prompt (#15989)
  • a93c7fd Fix formatting of list and set settings values when marshaling to environ...
  • 2b018ea Fix documentation link to deployment concept (#15988)
  • 98592bd Fixes the arguments for the url generation in BaseWorker (#15982)
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-prefect.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-prefect.txt b/tests/requirements-prefect.txt index 2fe2c822a1..6779ba9298 100644 --- a/tests/requirements-prefect.txt +++ b/tests/requirements-prefect.txt @@ -1,2 +1,2 @@ dask-jobqueue==0.9.0 -prefect[dask]==3.1.1 +prefect[dask]==3.1.2 From 00edecde354a0bca0a01c37b203cd05db126417e Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 18 Nov 2024 20:28:44 -0500 Subject: [PATCH 15/22] Bump phonopy from 2.30.0 to 2.30.1 (#2534) Bumps [phonopy](https://github.com/phonopy/phonopy) from 2.30.0 to 2.30.1.
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Nov-13-2024: Version 2.30.1

  • Release for attempting conda-forge packaging except for a few very minor change.
Commits
  • ae0ead9 Merge branch 'develop'
  • adcdb6a Merge pull request #450 from phonopy/release
  • 388f2b2 Remove numpy-v2 specific github workflow
  • b878487 Set version 2.30.1
  • fa4ea15 Merge pull request #449 from phonopy/pre-commit-ci-update-config
  • f2c29ca [pre-commit.ci] pre-commit autoupdate
  • 51ff056 Minor update of display log
  • 643b864 Merge pull request #448 from phonopy/clean-phonopy-load
  • 2be1176 Bump requires-python >=3.9
  • a259232 Refactor phonopy-load command and document
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-phonons.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-phonons.txt b/tests/requirements-phonons.txt index 037797dd51..89770f322a 100644 --- a/tests/requirements-phonons.txt +++ b/tests/requirements-phonons.txt @@ -1,2 +1,2 @@ -phonopy==2.30.0 +phonopy==2.30.1 seekpath==2.1.0 From 538f7e66d0879da765fc0fd820e634a55845fd34 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 25 Nov 2024 18:25:17 -0500 Subject: [PATCH 16/22] Bump jobflow from 0.1.18 to 0.1.19 (#2551) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [jobflow](https://github.com/materialsproject/jobflow) from 0.1.18 to 0.1.19.
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Commits
  • 4e15997 Update changelog
  • b4b7dc9 Merge pull request #679 from materialsproject/flow-metadata
  • b6786ca document metadata + metadata_updates in Flow class doc str
  • 9f16d51 cover callback_filter in Flow.update_metadata in combo with dynamic=True
  • 1993511 delete test_flow_update_metadata_nested_flows
  • aa4a02f extensive unit tests for Flow and Job update_metadata callback_filter
  • dc23d2e add keyword callback_filter: Callable[[jobflow.Flow | Job], bool] = lambda _:...
  • c374d24 Merge pull request #673 from davidwaroquiers/fix_Job_docstring
  • cef3584 Merge pull request #706 from materialsproject/custom-log-fmt
  • ddb53dd initialize_logger test custom log format
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-jobflow.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-jobflow.txt b/tests/requirements-jobflow.txt index 87f9005461..3fddcf3bdb 100644 --- a/tests/requirements-jobflow.txt +++ b/tests/requirements-jobflow.txt @@ -1,3 +1,3 @@ -jobflow==0.1.18 +jobflow==0.1.19 jobflow-remote==0.1.4 fireworks==2.0.3 From f79a5935f09815c5aeff5d9e30a967fee25fbaa9 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 25 Nov 2024 18:25:24 -0500 Subject: [PATCH 17/22] Bump covalent-cloud from 0.84.0 to 0.84.1 (#2546) Bumps [covalent-cloud](https://github.com/AgnostiqHQ/covalent-cloud-sdk) from 0.84.0 to 0.84.1.
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-covalent.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-covalent.txt b/tests/requirements-covalent.txt index ecfba01a42..f82bcc8695 100644 --- a/tests/requirements-covalent.txt +++ b/tests/requirements-covalent.txt @@ -1,3 +1,3 @@ covalent==0.235.1rc0 -covalent-cloud==0.84.0 +covalent-cloud==0.84.1 covalent-slurm-plugin==0.18.0 From b9cbaec33b5bc4049ded379f31bc16b7dafec3b7 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 25 Nov 2024 18:25:29 -0500 Subject: [PATCH 18/22] Bump prefect[dask] from 3.1.2 to 3.1.4 (#2548) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [prefect[dask]](https://github.com/PrefectHQ/prefect) from 3.1.2 to 3.1.4.
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3.1.4: Schrödinger's Labels

Enhancements ➕➕

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Full Changelog: https://github.com/PrefectHQ/prefect/compare/3.1.3...3.1.4

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Development & Tidiness 🧹

... (truncated)

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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-prefect.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-prefect.txt b/tests/requirements-prefect.txt index 6779ba9298..0c72065734 100644 --- a/tests/requirements-prefect.txt +++ b/tests/requirements-prefect.txt @@ -1,2 +1,2 @@ dask-jobqueue==0.9.0 -prefect[dask]==3.1.2 +prefect[dask]==3.1.4 From ff840f631040d4ebf93c3053bb4185b1483a55f5 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 25 Nov 2024 18:25:36 -0500 Subject: [PATCH 19/22] Bump pydantic from 2.9.2 to 2.10.1 (#2547) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Bumps [pydantic](https://github.com/pydantic/pydantic) from 2.9.2 to 2.10.1.
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v2.10.1 2024-11-21

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v2.10.0 2024-11-20

The code released in v2.10.0 is practically identical to that of v2.10.0b2. See the v2.10 release blog post for the highlights!

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... (truncated)

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v2.10.1 (2024-11-21)

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v2.10.0 (2024-11-20)

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  • 4c75404 Prepare for v2.10.1 release (#10939)
  • e0fc82f Bump pydantic-core version to v2.27.1 (#10938)
  • 30b31da Fix JSON schema title when specified as '' (#10936)
  • 45bd7a7 Fix URL equality with different validation methods (#10934)
  • 6153054 Fix url constraint application (#10922)
  • 71168ba Use the globals of the function when evaluating the return type of serializ...
  • 4def331 Use the parent configuration during schema generation for stdlib dataclasses ...
  • a2acc52 Fix type checking issue with model_fields and model_computed_fields (#10911)
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements.txt b/tests/requirements.txt index 13bfd0d7a9..583183e2ed 100644 --- a/tests/requirements.txt +++ b/tests/requirements.txt @@ -5,7 +5,7 @@ maggma==0.70.0 monty==2024.10.21 numpy==1.26.4 psutil==6.1.0 -pydantic==2.9.2 +pydantic==2.10.1 pydantic-settings==2.6.1 pymatgen==2024.10.3 ruamel.yaml==0.18.6 From 7eb6921896a46834d9f94d9239bf442b9076ee4b Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 25 Nov 2024 18:25:43 -0500 Subject: [PATCH 20/22] Bump parsl[monitoring] from 2024.11.11 to 2024.11.18 (#2545) Bumps [parsl[monitoring]](https://github.com/Parsl/parsl) from 2024.11.11 to 2024.11.18.
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[![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=parsl[monitoring]&package-manager=pip&previous-version=2024.11.11&new-version=2024.11.18)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting `@dependabot rebase`. [//]: # (dependabot-automerge-start) [//]: # (dependabot-automerge-end) ---
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-parsl.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-parsl.txt b/tests/requirements-parsl.txt index b4d5c1ce14..c9dd670c3b 100644 --- a/tests/requirements-parsl.txt +++ b/tests/requirements-parsl.txt @@ -1 +1 @@ -parsl[monitoring]==2024.11.11 +parsl[monitoring]==2024.11.18 From f352113ed6dff4a1b3e52e581a90eee5de52e53c Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 25 Nov 2024 18:25:52 -0500 Subject: [PATCH 21/22] Bump phonopy from 2.30.1 to 2.31.0 (#2550) Bumps [phonopy](https://github.com/phonopy/phonopy) from 2.30.1 to 2.31.0.
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Nov-13-2024: Version 2.31.0

  • Maintenance release along with refactoring of MLP interface.
Commits
  • d7ab2e5 Merge branch 'develop'
  • fec24de Merge pull request #458 from phonopy/release
  • 4ba23a3 Set version 2.31.0
  • cf27ef5 Merge pull request #456 from phonopy/mlpsscha
  • 98ba702 Add MLPSSCHA class
  • 5be99fd Remove legacy setup.py and setup.cfg
  • cfd64ad Merge pull request #454 from phonopy/remove-init-py
  • 91014ce Remove unnecessary init.py
  • 0bb47c9 Remove sort for another random displacement scheme
  • 58451e2 Merge pull request #453 from phonopy/random-disp
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[![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=phonopy&package-manager=pip&previous-version=2.30.1&new-version=2.31.0)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting `@dependabot rebase`. [//]: # (dependabot-automerge-start) [//]: # (dependabot-automerge-end) ---
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-phonons.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-phonons.txt b/tests/requirements-phonons.txt index 89770f322a..c0da4b8487 100644 --- a/tests/requirements-phonons.txt +++ b/tests/requirements-phonons.txt @@ -1,2 +1,2 @@ -phonopy==2.30.1 +phonopy==2.31.0 seekpath==2.1.0 From 4696bd8d6caaef685c75cb31caf6a7da4fb0e7d9 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 25 Nov 2024 18:30:47 -0500 Subject: [PATCH 22/22] Bump torch-dftd from 0.5.0 to 0.5.1 (#2549) Bumps torch-dftd from 0.5.0 to 0.5.1. [![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=torch-dftd&package-manager=pip&previous-version=0.5.0&new-version=0.5.1)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting `@dependabot rebase`. [//]: # (dependabot-automerge-start) [//]: # (dependabot-automerge-end) ---
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Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- tests/requirements-mlp.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/requirements-mlp.txt b/tests/requirements-mlp.txt index ff5a7d2095..6f157ccd87 100644 --- a/tests/requirements-mlp.txt +++ b/tests/requirements-mlp.txt @@ -1,3 +1,3 @@ chgnet==0.4.0 mace-torch==0.3.8 -torch-dftd==0.5.0 +torch-dftd==0.5.1