v2.2.11 #3940
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v2.2.11 #3940
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Fix deepmodeling#3334. --------- Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 92ee632)
Fix deepmodeling#3568. Set run path for libtorch and protobuf. Refactor the original `TensorFlow_LIBRARY_PATH` to `BACKEND_LIBRARY_PATH` (list). --------- Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 4c546d0) Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> (cherry picked from commit 87d293a) Signed-off-by: Jinzhe Zeng <[email protected]>
I construct a test case in which all old implementations fail. --------- Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 09fd3bb)
) Fix the following error in docker_package_c.sh ``` -- Found Git: /usr/bin/git (found version "2.25.1") fatal: detected dubious ownership in repository at '/root/deepmd-kit' To add an exception for this directory, call: git config --global --add safe.directory /root/deepmd-kit ``` In addition, fetching git tags in actions/checkout. --------- Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 6eadc29)
When downloading the source code of a branch or a release from GitHub or the mirror, there is no Git version information, making setuptools-scm unable to read the version. The alternative way is to add a git archive file supported by setuptools-scm. See: * https://setuptools-scm.readthedocs.io/en/latest/usage/#git-archives (available in setuptools-scm 7.0.0) * https://git-scm.com/docs/git-archive#Documentation/git-archive.txt-export-subst * https://docs.github.com/en/repositories/working-with-files/using-files/downloading-source-code-archives Generated by the task: njzjz-bot/njzjz-bot#4. (cherry picked from commit 3eb3d51) Signed-off-by: Jinzhe Zeng <[email protected]>
Fix type issue in previous PR deepmodeling#3651. --------- Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> (cherry picked from commit cac8715)
(cherry picked from commit 86b0bf8) Signed-off-by: Jinzhe Zeng <[email protected]>
…eling#3714) Closes deepmodeling#3665. Bumps [tar](https://github.com/isaacs/node-tar) from 6.1.14 to 6.2.1. - [Release notes](https://github.com/isaacs/node-tar/releases) - [Changelog](https://github.com/isaacs/node-tar/blob/main/CHANGELOG.md) - [Commits](isaacs/node-tar@v6.1.14...v6.2.1) --- updated-dependencies: - dependency-name: tar dependency-type: indirect ... Signed-off-by: dependabot[bot] <[email protected]> Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> (cherry picked from commit 981ce44)
tensorflow/tensorflow#61830 got fixed. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Bug Fixes** - Updated the TensorFlow version constraint for better compatibility on Windows systems. <!-- end of auto-generated comment: release notes by coderabbit.ai --> Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 8fb7e91)
<!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Tests** - Updated test cases to specify precision digits directly, enhancing the accuracy of model compression tests. <!-- end of auto-generated comment: release notes by coderabbit.ai --> (cherry picked from commit ee47e75)
deepmodeling#3643 <!-- This is an auto-generated comment: release notes by coderabbit.ai --> - **Documentation** - Simplified the description for the number of attention layers in the code documentation. - Added a notice about model compression compatibility for `se_atten_v2` descriptor in the documentation. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 62832e8) Signed-off-by: Jinzhe Zeng <[email protected]>
Fix deepmodeling#3789. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> - **Documentation** - Corrected a minor formatting issue in the quick start guide for displaying a file path. - **Chores** - Added a new linting rule for warnings to improve code quality. - **Tests** - Improved regular expression handling in test cases by using raw string notation. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> (cherry picked from commit 81b5949) Signed-off-by: Jinzhe Zeng <[email protected]>
…g#3801) <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Bug Fixes** - Enhanced error handling to ensure required computes or fixes are present before proceeding with operations, improving robustness and reliability. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Han Wang <[email protected]> (cherry picked from commit 7b16911)
When using the GPU version of the neighbor stat code, one may encounter the following issue and the training will stop: ``` [2024-05-24 23:00:42,027] DEEPMD INFO Adjust batch size from 1024 to 2048 [2024-05-24 23:00:42,139] DEEPMD INFO Adjust batch size from 2048 to 4096 [2024-05-24 23:00:42,285] DEEPMD INFO Adjust batch size from 4096 to 8192 [2024-05-24 23:00:42,628] DEEPMD INFO Adjust batch size from 8192 to 16384 [2024-05-24 23:00:43,180] DEEPMD INFO Adjust batch size from 16384 to 32768 [2024-05-24 23:00:44,341] DEEPMD INFO Adjust batch size from 32768 to 65536 [2024-05-24 23:00:46,713] DEEPMD INFO Adjust batch size from 65536 to 131072 2024-05-24 23:00:52.071120: E tensorflow/compiler/xla/stream_executor/cuda/cuda_event.cc:29] Error polling for event status: failed to query event: CUDA_ERROR_ILLEGAL_ADDRESS: an illegal memory access was encountered 2024-05-24 23:00:52.075435: F tensorflow/core/common_runtime/device/device_event_mgr.cc:223] Unexpected Event status: 1 /bin/sh: line 1: 1397100 Aborted ``` This should be due to some issue of TensorFlow. One may use the environment variable `DP_INFER_BATCH_SIZE` to avoid this issue. This PR remind the user to set a small `DP_INFER_BATCH_SIZE` to avoid this issue. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> - **Bug Fixes** - Added a log message to guide users on setting the `DP_INFER_BATCH_SIZE` environment variable to avoid TensorFlow illegal memory access issues. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Yifan Li李一帆 <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: coderabbitai[bot] <136622811+coderabbitai[bot]@users.noreply.github.com> (cherry picked from commit d754672) Signed-off-by: Jinzhe Zeng <[email protected]>
The original package was yanked. xref: i-pi/i-pi#290 <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Chores** - Updated the dependency name from `"i-PI"` to `"ipi"` in the project configuration file for consistency. <!-- end of auto-generated comment: release notes by coderabbit.ai --> Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 0afe8bf)
Solve issue deepmodeling#3139 `"se_atten_v2"` is inherited from `"se_atten"` with the following parameter modifications: ```json "tebd_input_mode": "strip", "smooth_type_embedding": true, "set_davg_zero": false ``` I add the equations for parameter `"tebd_input_mode"`. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Documentation** - Detailed the default value and functionality of the `"tebd_input_mode"` parameter. - Highlighted the performance superiority of `"se_atten_v2"` over `"se_atten"`. - Specified a model compression requirement for `se_atten_v2`. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Han Wang <[email protected]> (cherry picked from commit e3acea5) Signed-off-by: Jinzhe Zeng <[email protected]>
…_attr_1` (deepmodeling#3930) Fix deepmodeling#3928. Prevent `fitting_attr` from becoming `fitting_attr_1`. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Refactor** - Improved TensorFlow variable scope management by switching to `tf.AUTO_REUSE` to streamline code and reduce the likelihood of variable reuse conflicts. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit e809e64)
) Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.17 to 2.18. <details> <summary>Release notes</summary> <p><em>Sourced from <a href="https://github.com/pypa/cibuildwheel/releases">pypa/cibuildwheel's releases</a>.</em></p> <blockquote> <h2>v2.18.0</h2> <ul> <li>✨ Adds CPython 3.13 support, under the prerelease flag <a href="https://cibuildwheel.pypa.io/en/stable/options/#prerelease-pythons">CIBW_PRERELEASE_PYTHONS</a>. This version of cibuildwheel uses 3.13.0b1. Free-threading mode is not available yet, waiting on official binaries (planned for beta 2) and pip support. <em>While CPython is in beta, the ABI can change, so your wheels might not be compatible with the final release. For this reason, we don't recommend distributing wheels until RC1, at which point 3.13 will be available in cibuildwheel without the flag.</em> (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1816">#1816</a>)</li> <li>✨ Musllinux now defaults to <code>musllinux_1_2</code>. You can set the older <code>musllinux_1_1</code> via config if needed. (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1817">#1817</a>)</li> <li>🛠 No longer pre-seed setuptools/wheel in virtual environments (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1819">#1819</a>)</li> <li>🛠 Respect the constraints file when building with pip, matching build (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1818">#1818</a>)</li> <li>🛠 Use uv to compile our pinned dependencies, 10x faster and doesn't require special setup (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1778">#1778</a>)</li> <li>🐛 Fix an issue with the schema (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1788">#1788</a>)</li> <li>📚 Document the new delocate error checking macOS versions (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1766">#1766</a>)</li> <li>📚 Document Rust builds (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1816">#1816</a>)</li> <li>📚 Speed up our readthedocs builds with uv, 26 seconds -> 6 seconds to install dependencies (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1816">#1816</a>)</li> </ul> </blockquote> </details> <details> <summary>Changelog</summary> <p><em>Sourced from <a href="https://github.com/pypa/cibuildwheel/blob/main/docs/changelog.md">pypa/cibuildwheel's changelog</a>.</em></p> <blockquote> <hr /> <h2>title: Changelog</h2> <h1>Changelog</h1> <h3>v2.18.0</h3> <p><em>12 May 2024</em></p> <ul> <li> <p>✨ Adds CPython 3.13 support, under the prerelease flag <a href="https://cibuildwheel.pypa.io/en/stable/options/#prerelease-pythons">CIBW_PRERELEASE_PYTHONS</a>. This version of cibuildwheel uses 3.13.0b1. Free-threading mode is not available yet, waiting on official binaries (planned for beta 2) and pip support.</p> <p><em>While CPython is in beta, the ABI can change, so your wheels might not be compatible with the final release. For this reason, we don't recommend distributing wheels until RC1, at which point 3.13 will be available in cibuildwheel without the flag.</em> (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1816">#1816</a>)</p> </li> <li> <p>✨ Musllinux now defaults to <code>musllinux_1_2</code>. You can set the older <code>manylinux_1_1</code> via config if needed. (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1817">#1817</a>)</p> </li> <li> <p>🛠 No longer pre-seed setuptools/wheel in virtual environments (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1819">#1819</a>)</p> </li> <li> <p>🛠 Respect the constraints file when building with pip, matching build (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1818">#1818</a>)</p> </li> <li> <p>🛠 Use uv to compile our pinned dependencies, 10x faster and doesn't require special setup (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1778">#1778</a>)</p> </li> <li> <p>🐛 Fix an issue with the schema (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1788">#1788</a>)</p> </li> <li> <p>📚 Document the new delocate error checking macOS versions (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1766">#1766</a>)</p> </li> <li> <p>📚 Document Rust builds (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1816">#1816</a>)</p> </li> <li> <p>📚 Speed up our readthedocs builds with uv, 26 seconds -> 6 seconds to install dependencies (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1816">#1816</a>)</p> </li> </ul> <h3>v2.17.0</h3> <p><em>11 March 2024</em></p> <ul> <li>🌟 Adds the ability to inherit configuration in TOML overrides. This makes certain configurations much simpler. If you're overriding an option like <code>before-build</code> or <code>environment</code>, and you just want to add an extra command or environment variable, you can just append (or prepend) to the previous config. See <a href="https://cibuildwheel.pypa.io/en/stable/options/#inherit">the docs</a> for more information. (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1730">#1730</a>)</li> <li>🌟 Adds official support for native <code>arm64</code> macOS GitHub runners. To use them, just specify <code>macos-14</code> as an <code>os</code> of your job in your workflow file. You can also keep <code>macos-13</code> in your build matrix to build <code>x86_64</code>. Check out the new <a href="https://cibuildwheel.pypa.io/en/stable/setup/#github-actions">GitHub Actions example config</a>.</li> <li>✨ You no longer need to specify <code>--platform</code> to run cibuildwheel locally! Instead it will detect your platform automatically. This was a safety feature, no longer necessary. (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1727">#1727</a>)</li> <li>🛠 Removed setuptools and wheel pinned versions. This only affects old-style projects without a <code>pyproject.toml</code>, projects with <code>pyproject.toml</code> are already getting fresh versions of their <code>build-system.requires</code> installed into an isolated environment. (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1725">#1725</a>)</li> <li>🛠 Improve how the GitHub Action passes arguments (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1757">#1757</a>)</li> <li>🛠 Remove a system-wide install of pipx in the GitHub Action (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1745">#1745</a>)</li> <li>🐛 No longer will cibuildwheel override the <code>PIP_CONSTRAINT</code> environment variable when using the <code>build</code> frontend. Instead it will be extended. (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1675">#1675</a>)</li> <li>🐛 Fix a bug where building and testing both <code>x86_86</code> and <code>arm64</code> wheels on the same runner caused the wrong architectures in the test environment (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1750">#1750</a>)</li> <li>🐛 Fix a bug that prevented testing a CPython 3.8 wheel targeting macOS 11+ on <code>x86_64</code> (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1768">#1768</a>)</li> <li>📚 Moved the docs onto the official PyPA domain - they're now available at <a href="https://cibuildwheel.pypa.io">https://cibuildwheel.pypa.io</a> . (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1775">#1775</a>)</li> <li>📚 Docs and examples improvements (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1762">#1762</a>, <a href="https://redirect.github.com/pypa/cibuildwheel/issues/1734">#1734</a>)</li> </ul> <h3>v2.16.5</h3> <p><em>30 January 2024</em></p> <ul> <li>🐛 Fix an incompatibility with the GitHub Action and new GitHub Runner images for Windows that bundle Powershell 7.3+ (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1741">#1741</a>)</li> <li>🛠 Preliminary support for new <code>macos-14</code> arm64 runners (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1743">#1743</a>)</li> </ul> <h3>v2.16.4</h3> <!-- raw HTML omitted --> </blockquote> <p>... (truncated)</p> </details> <details> <summary>Commits</summary> <ul> <li><a href="https://github.com/pypa/cibuildwheel/commit/711a3d017d0729f3edde18545fee967f03d65f65"><code>711a3d0</code></a> Bump version: v2.18.0</li> <li><a href="https://github.com/pypa/cibuildwheel/commit/3873a1edf81e0a3ae89431bbb07801fd6fe63cf6"><code>3873a1e</code></a> chore: update bump_version script</li> <li><a href="https://github.com/pypa/cibuildwheel/commit/6dd4f15a0ee07ba6f2b7cb51e5a14827e46a1261"><code>6dd4f15</code></a> docs: rust (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1816">#1816</a>)</li> <li><a href="https://github.com/pypa/cibuildwheel/commit/44c47424775673b9416a4f1f4f8f6efed5e8dea9"><code>44c4742</code></a> feat: add Python 3.13 beta 1 (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1815">#1815</a>)</li> <li><a href="https://github.com/pypa/cibuildwheel/commit/c0217440e839c9fe641b7c841016c4325bf99875"><code>c021744</code></a> feat: move default <code>musllinux</code> build to <code>musllinux_1_2</code> (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1817">#1817</a>)</li> <li><a href="https://github.com/pypa/cibuildwheel/commit/cf18014fce969628c72a266396f72ef672e9a8d4"><code>cf18014</code></a> fix: do not pre-seed setuptools / wheel in virtual environment (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1819">#1819</a>)</li> <li><a href="https://github.com/pypa/cibuildwheel/commit/3ea0a6c2f0219d97ff8387b87bd2448dcfb7452c"><code>3ea0a6c</code></a> fix: respect constraints when building with pip (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1818">#1818</a>)</li> <li><a href="https://github.com/pypa/cibuildwheel/commit/30a0decb47aff80ee8909c918eb89b75ff422643"><code>30a0dec</code></a> [Bot] Update dependencies (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1812">#1812</a>)</li> <li><a href="https://github.com/pypa/cibuildwheel/commit/988d512fb3dfde407a9e2da943902d6227e34fa0"><code>988d512</code></a> [pre-commit.ci] pre-commit autoupdate (<a href="https://redirect.github.com/pypa/cibuildwheel/issues/1813">#1813</a>)</li> <li><a href="https://github.com/pypa/cibuildwheel/commit/98d57d9547203fa3b5676ef6960d639989295cf8"><code>98d57d9</code></a> Merge pull request <a href="https://redirect.github.com/pypa/cibuildwheel/issues/1766">#1766</a> from Czaki/delocate_info</li> <li>Additional commits viewable in <a href="https://github.com/pypa/cibuildwheel/compare/v2.17...v2.18">compare view</a></li> </ul> </details> <br /> [](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) --- <details> <summary>Dependabot commands and options</summary> <br /> You can trigger Dependabot actions by commenting on this PR: - `@dependabot rebase` will rebase this PR - `@dependabot recreate` will recreate this PR, overwriting any edits that have been made to it - `@dependabot merge` will merge this PR after your CI passes on it - `@dependabot squash and merge` will squash and merge this PR after your CI passes on it - `@dependabot cancel merge` will cancel a previously requested merge and block automerging - `@dependabot reopen` will reopen this PR if it is closed - `@dependabot close` will close this PR and stop Dependabot recreating it. You can achieve the same result by closing it manually - `@dependabot show <dependency name> ignore conditions` will show all of the ignore conditions of the specified dependency - `@dependabot ignore this major version` will close this PR and stop Dependabot creating any more for this major version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this minor version` will close this PR and stop Dependabot creating any more for this minor version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this dependency` will close this PR and stop Dependabot creating any more for this dependency (unless you reopen the PR or upgrade to it yourself) </details> Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> (cherry picked from commit 33f00c8)
…3882) Bumps [docker/build-push-action](https://github.com/docker/build-push-action) from 5 to 6. <details> <summary>Release notes</summary> <p><em>Sourced from <a href="https://github.com/docker/build-push-action/releases">docker/build-push-action's releases</a>.</em></p> <blockquote> <h2>v6.0.0</h2> <ul> <li>Export build record and generate <a href="https://docs.docker.com/build/ci/github-actions/build-summary/">build summary</a> by <a href="https://github.com/crazy-max"><code>@crazy-max</code></a> in <a href="https://redirect.github.com/docker/build-push-action/pull/1120">docker/build-push-action#1120</a></li> <li>Bump <code>@docker/actions-toolkit</code> from 0.24.0 to 0.26.0 in <a href="https://redirect.github.com/docker/build-push-action/pull/1132">docker/build-push-action#1132</a> <a href="https://redirect.github.com/docker/build-push-action/pull/1136">docker/build-push-action#1136</a> <a href="https://redirect.github.com/docker/build-push-action/pull/1138">docker/build-push-action#1138</a></li> <li>Bump braces from 3.0.2 to 3.0.3 in <a href="https://redirect.github.com/docker/build-push-action/pull/1137">docker/build-push-action#1137</a></li> </ul> <blockquote> <p>[!NOTE] This major release adds support for generating <a href="https://docs.docker.com/build/ci/github-actions/build-summary/">Build summary</a> and exporting build record for your build. You can disable this feature by setting <a href="https://docs.docker.com/build/ci/github-actions/build-summary/#disable-job-summary"> <code>DOCKER_BUILD_NO_SUMMARY: true</code> environment variable in your workflow</a>.</p> </blockquote> <p><strong>Full Changelog</strong>: <a href="https://github.com/docker/build-push-action/compare/v5.4.0...v6.0.0">https://github.com/docker/build-push-action/compare/v5.4.0...v6.0.0</a></p> <h2>v5.4.0</h2> <ul> <li>Show builder information before building by <a href="https://github.com/crazy-max"><code>@crazy-max</code></a> in <a href="https://redirect.github.com/docker/build-push-action/pull/1128">docker/build-push-action#1128</a></li> <li>Handle attestations correctly with provenance and sbom inputs by <a href="https://github.com/crazy-max"><code>@crazy-max</code></a> in <a href="https://redirect.github.com/docker/build-push-action/pull/1086">docker/build-push-action#1086</a></li> <li>Bump <code>@docker/actions-toolkit</code> from 0.19.0 to 0.24.0 in <a href="https://redirect.github.com/docker/build-push-action/pull/1088">docker/build-push-action#1088</a> <a href="https://redirect.github.com/docker/build-push-action/pull/1105">docker/build-push-action#1105</a> <a href="https://redirect.github.com/docker/build-push-action/pull/1121">docker/build-push-action#1121</a> <a href="https://redirect.github.com/docker/build-push-action/pull/1127">docker/build-push-action#1127</a></li> <li>Bump undici from 5.28.3 to 5.28.4 in <a href="https://redirect.github.com/docker/build-push-action/pull/1090">docker/build-push-action#1090</a></li> </ul> <p><strong>Full Changelog</strong>: <a href="https://github.com/docker/build-push-action/compare/v5.3.0...v5.4.0">https://github.com/docker/build-push-action/compare/v5.3.0...v5.4.0</a></p> <h2>v5.3.0</h2> <ul> <li>Bump <code>@docker/actions-toolkit</code> from 0.18.0 to 0.19.0 in <a href="https://redirect.github.com/docker/build-push-action/pull/1080">docker/build-push-action#1080</a></li> </ul> <p><strong>Full Changelog</strong>: <a href="https://github.com/docker/build-push-action/compare/v5.2.0...v5.3.0">https://github.com/docker/build-push-action/compare/v5.2.0...v5.3.0</a></p> <h2>v5.2.0</h2> <ul> <li>Disable quotes detection for <code>outputs</code> input by <a href="https://github.com/crazy-max"><code>@crazy-max</code></a> in <a href="https://redirect.github.com/docker/build-push-action/pull/1074">docker/build-push-action#1074</a></li> <li>Warn about ignored inputs by <a href="https://github.com/favonia"><code>@favonia</code></a> in <a href="https://redirect.github.com/docker/build-push-action/pull/1019">docker/build-push-action#1019</a></li> <li>Bump <code>@docker/actions-toolkit</code> from 0.14.0 to 0.18.0 in <a href="https://redirect.github.com/docker/build-push-action/pull/1070">docker/build-push-action#1070</a></li> <li>Bump undici from 5.26.3 to 5.28.3 in <a href="https://redirect.github.com/docker/build-push-action/pull/1057">docker/build-push-action#1057</a></li> </ul> <p><strong>Full Changelog</strong>: <a href="https://github.com/docker/build-push-action/compare/v5.1.0...v5.2.0">https://github.com/docker/build-push-action/compare/v5.1.0...v5.2.0</a></p> <h2>v5.1.0</h2> <ul> <li>Add <code>annotations</code> input by <a href="https://github.com/crazy-max"><code>@crazy-max</code></a> in <a href="https://redirect.github.com/docker/build-push-action/pull/992">docker/build-push-action#992</a></li> <li>Add <code>secret-envs</code> input by <a href="https://github.com/elias-lundgren"><code>@elias-lundgren</code></a> in <a href="https://redirect.github.com/docker/build-push-action/pull/980">docker/build-push-action#980</a></li> <li>Bump <code>@babel/traverse</code> from 7.17.3 to 7.23.2 in <a href="https://redirect.github.com/docker/build-push-action/pull/991">docker/build-push-action#991</a></li> <li>Bump <code>@docker/actions-toolkit</code> from 0.13.0-rc.1 to 0.14.0 in <a href="https://redirect.github.com/docker/build-push-action/pull/990">docker/build-push-action#990</a> <a href="https://redirect.github.com/docker/build-push-action/pull/1006">docker/build-push-action#1006</a></li> </ul> <p><strong>Full Changelog</strong>: <a href="https://github.com/docker/build-push-action/compare/v5.0.0...v5.1.0">https://github.com/docker/build-push-action/compare/v5.0.0...v5.1.0</a></p> </blockquote> </details> <details> <summary>Commits</summary> <ul> <li><a href="https://github.com/docker/build-push-action/commit/c382f710d39a5bb4e430307530a720f50c2d3318"><code>c382f71</code></a> Merge pull request <a href="https://redirect.github.com/docker/build-push-action/issues/1120">#1120</a> from crazy-max/build-summary</li> <li><a href="https://github.com/docker/build-push-action/commit/5a5b70d974381b812e448a9ea8efef0c0781e8a7"><code>5a5b70d</code></a> chore: update generated content</li> <li><a href="https://github.com/docker/build-push-action/commit/dc24cf9e252ee3b05f80a1637b2950c11d305b3d"><code>dc24cf9</code></a> don't generate summary for cloud driver</li> <li><a href="https://github.com/docker/build-push-action/commit/667cb22c52a8762431790112e70ef7f545dbf2d2"><code>667cb22</code></a> DOCKER_BUILD_NO_SUMMARY env to disable summary</li> <li><a href="https://github.com/docker/build-push-action/commit/d880b1964b626c7ac1763e83768e139202071136"><code>d880b19</code></a> generate build summary</li> <li><a href="https://github.com/docker/build-push-action/commit/e51051ad0baf1cdf23788f7f0980f675806b580e"><code>e51051a</code></a> export build record and upload artifact</li> <li><a href="https://github.com/docker/build-push-action/commit/86c2bd00318427a320d2cee5bbc61251df6f647e"><code>86c2bd0</code></a> Merge pull request <a href="https://redirect.github.com/docker/build-push-action/issues/1137">#1137</a> from docker/dependabot/npm_and_yarn/braces-3.0.3</li> <li><a href="https://github.com/docker/build-push-action/commit/268d2b16117932ad41015c96fbc27a7641533625"><code>268d2b1</code></a> Merge pull request <a href="https://redirect.github.com/docker/build-push-action/issues/1138">#1138</a> from docker/dependabot/npm_and_yarn/docker/actions-t...</li> <li><a href="https://github.com/docker/build-push-action/commit/2b8dc7f52914dfdd416618a1f33d11277b7d64d2"><code>2b8dc7f</code></a> chore: update generated content</li> <li><a href="https://github.com/docker/build-push-action/commit/840c12be1707e3d7115f8d61da2c8b78442cc538"><code>840c12b</code></a> chore(deps): Bump <code>@docker/actions-toolkit</code> from 0.25.1 to 0.26.0</li> <li>Additional commits viewable in <a href="https://github.com/docker/build-push-action/compare/v5...v6">compare view</a></li> </ul> </details> <br /> [](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) --- <details> <summary>Dependabot commands and options</summary> <br /> You can trigger Dependabot actions by commenting on this PR: - `@dependabot rebase` will rebase this PR - `@dependabot recreate` will recreate this PR, overwriting any edits that have been made to it - `@dependabot merge` will merge this PR after your CI passes on it - `@dependabot squash and merge` will squash and merge this PR after your CI passes on it - `@dependabot cancel merge` will cancel a previously requested merge and block automerging - `@dependabot reopen` will reopen this PR if it is closed - `@dependabot close` will close this PR and stop Dependabot recreating it. You can achieve the same result by closing it manually - `@dependabot show <dependency name> ignore conditions` will show all of the ignore conditions of the specified dependency - `@dependabot ignore this major version` will close this PR and stop Dependabot creating any more for this major version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this minor version` will close this PR and stop Dependabot creating any more for this minor version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this dependency` will close this PR and stop Dependabot creating any more for this dependency (unless you reopen the PR or upgrade to it yourself) </details> --------- Signed-off-by: dependabot[bot] <[email protected]> Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Jinzhe Zeng <[email protected]> (cherry picked from commit e2b659a)
Signed-off-by: Jinzhe Zeng <[email protected]>
This replace the BibTeX reference to the preprint with that to the published version (generated by njzjz/wenxian#23 (comment)). <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Documentation** - Updated citation information for an article by Zhang et al. to reflect the latest publication details. - Added Xinzijian Liu to the author list. - Updated title, journal, year, volume, issue, pages, and DOI in the citation. - Revised citation reference in the credits documentation. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> (cherry picked from commit 55a1cf6)
Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> (cherry picked from commit e71e165)
Setup [`uv`](https://github.com/astral-sh/uv) in the GitHub Actions, saving several minutes compared to pip. pip:  uv:  Using `uv` has some limitations, but it's good to use it in the CI. --------- Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 219b19e) Signed-off-by: Jinzhe Zeng <[email protected]>
Fix deepmodeling#3520. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> - **Chores** - Simplified the installation process by removing specific version references for the `ase` package in workflow files. - Updated the dependency version of "ase" to `>=3.23.0` in `pyproject.toml` to ensure compatibility and resolve previous issues. <!-- end of auto-generated comment: release notes by coderabbit.ai --> (cherry picked from commit f23c77e) Signed-off-by: Jinzhe Zeng <[email protected]>
Should save 1 minute per build on average. <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **New Features** - Introduced platform-specific constraints for `h5py` when using TensorFlow, ensuring better compatibility and performance. - **Chores** - Updated build configuration to include the `uv` tool for building wheels. - Modified `.gitignore` to exclude the `.uv/` directory. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit a7ab1af)
…deepmodeling#3889) This PR uses a shell wrapper to check if the `error decoding response body` error message is in the uv stderr and retry if so. It is just a workaround for astral-sh/uv#2586 and astral-sh/uv#3514 and hope the upstream can fix it. Note that this PR does nothing with cibuildwheel. It's unclear how to retry with certain errors under its complex logic (feature requested in pypa/cibuildwheel#1846). <!-- This is an auto-generated comment: release notes by coderabbit.ai --> - **Chores** - Standardized installation process for TensorFlow, Torch, and other dependencies across workflows by using `uv_with_retry.sh` script to ensure reliable installations. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: coderabbitai[bot] <136622811+coderabbitai[bot]@users.noreply.github.com> (cherry picked from commit 359d19b) Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
![github-advanced-security[bot]](https://avatars.githubusercontent.com/in/57789?s=60&v=4){kind=small}
| @@ -307,8 +307,9 @@ | |||
| aparam[:, :] is the real/virtual sign for each atom. | |||
| """ | |||
| aparam = input_dict["aparam"] | |||
| with tf.variable_scope("fitting_attr" + suffix, reuse=reuse): | |||
| t_aparam_nall = tf.constant(True, name="aparam_nall", dtype=tf.bool) | |||
| t_aparam_nall = tf.constant( | |||
Check notice
Code scanning / CodeQL
Unused local variable Note
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## r2 #3940 +/- ##
==========================================
- Coverage 81.52% 81.50% -0.02%
==========================================
Files 342 342
Lines 33844 33865 +21
Branches 2872 2876 +4
==========================================
+ Hits 27590 27601 +11
- Misses 5371 5381 +10
Partials 883 883 ☔ View full report in Codecov by Sentry. |
…luded_types` Signed-off-by: Jinzhe Zeng <[email protected]>
wanghan-iapcm
approved these changes
Jul 2, 2024
iProzd
approved these changes
Jul 3, 2024
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smooth_type_embdding#3698se_atten_v2#3828fitting_attrvariable scope from becomingfitting_attr_1#3930error decoding response bodyfrom uv #3889