search

pyiron / pylammpsmpi

Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
https://pylammpsmpi.readthedocs.io
BSD 3-Clause "New" or "Revised" License
30 stars 4 forks source link

Bump mpi4py from 3.1.6 to 4.0.0 #236

Closed dependabot[bot] closed 3 months ago

dependabot[bot] commented 4 months ago

Bumps mpi4py from 3.1.6 to 4.0.0.

Release notes

Sourced from mpi4py's releases.

4.0.0

  • New features:

    • Add support for the MPI-4.0 standard.

      • Use large count MPI-4 routines.
      • Add persistent collective communication.
      • Add partitioned point-to-point communication.
      • Add new communicator constructors.
      • Add the Session class and its methods.

    • Add support for the MPI-4.1 standard.

      • Add non-destructive completion test for multiple requests.
      • Add value-index datatype constructor.
      • Add communicator/session buffer attach/detach/flush.
      • Support for removal of error classes/codes/strings.
      • Support for querying hardware resource information.

    • Add preliminary support for the upcoming MPI-5.0 standard.

      • User-level failure mitigation (ULFM).

    • mpi4py.util.pool: New drop-in replacement for multiprocessing.pool.

    • mpi4py.util.sync: New synchronization utilities.

    • Add runtime check for mismatch between mpiexec and MPI library.

    • Support scikit-build-core as an alternative build backend.

    • Support meson-python as an alternative build backend.

  • Enhancements:

    • mpi4py.futures: Support for parallel tasks.

    • mpi4py.futures: Report exception tracebacks in workers.

    • mpi4py.util.pkl5: Add support for collective communication.

    • Add methods Datatype.fromcode(), Datatype.tocode() and attributes Datatype.typestr, Datatype.typechar to simplify NumPy interoperability for simple cases.

    • Add methods Comm.Create_errhandler(), Win.Create_errhandler(), and File.Create_errhandler() to create custom error handlers.

    • Add support for pickle serialization of instances of MPI types. All instances of Datatype, Info, and Status can be

... (truncated)

Changelog

Sourced from mpi4py's changelog.

Release 4.0.0 [2024-07-28]

  • New features:

    • Add support for the MPI-4.0 standard.

      • Use large count MPI-4 routines.
      • Add persistent collective communication.
      • Add partitioned point-to-point communication.
      • Add new communicator constructors.
      • Add the Session class and its methods.

    • Add support for the MPI-4.1 standard.

      • Add non-destructive completion test for multiple requests.
      • Add value-index datatype constructor.
      • Add communicator/session buffer attach/detach/flush.
      • Support for removal of error classes/codes/strings.
      • Support for querying hardware resource information.

    • Add preliminary support for the upcoming MPI-5.0 standard.

      • User-level failure mitigation (ULFM).

    • mpi4py.util.pool: New drop-in replacement for multiprocessing.pool.

    • mpi4py.util.sync: New synchronization utilities.

    • Add runtime check for mismatch between mpiexec and MPI library.

    • Support scikit-build-core_ as an alternative build backend.

    .. _scikit-build-core: https://scikit-build.readthedocs.io/

    • Support meson-python_ as an alternative build backend.

    .. _meson-python: https://meson-python.readthedocs.io/

  • Enhancements:

    • mpi4py.futures: Support for parallel tasks.

    • mpi4py.futures: Report exception tracebacks in workers.

    • mpi4py.util.pkl5: Add support for collective communication.

    • Add methods Datatype.fromcode(), Datatype.tocode() and attributes Datatype.typestr, Datatype.typechar to simplify NumPy interoperability for simple cases.

... (truncated)

Commits
  • c617118 Bump version number to 4.0.0
  • 2193024 chore: Update changelog for release
  • 6e50aa4 chore: Reorganize and remove old CI files
  • e6d3e92 build: Add convenience shell scripts to build with CMake and Meson
  • 1513cac refactor: Use object flags to store user-defined operation indices
  • 3f83f4d chore: Change to BSD-3-Clause license
  • b0218c3 docs: Add guidelines section with fair play rules
  • 83a1dfa build(deps): Bump sphinx from 7.4.4 to 7.4.7
  • a7e3ea4 build: Support Intel MPI MPI-4.x features
  • 0d29d4a test: Disable MPI-4.x features failing with Intel MPI
  • Additional commits viewable in compare view


Dependabot compatibility score

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 commands and options
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 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)
coderabbitai[bot] commented 4 months ago

[!IMPORTANT]

Review skipped

Bot user detected.

To trigger a single review, invoke the @coderabbitai review command.

You can disable this status message by setting the reviews.review_status to false in the CodeRabbit configuration file.

Thank you for using CodeRabbit. We offer it for free to the OSS community and would appreciate your support in helping us grow. If you find it useful, would you consider giving us a shout-out on your favorite social media?

Share - [X](https://twitter.com/intent/tweet?text=I%20just%20used%20%40coderabbitai%20for%20my%20code%20review%2C%20and%20it%27s%20fantastic%21%20It%27s%20free%20for%20OSS%20and%20offers%20a%20free%20trial%20for%20the%20proprietary%20code.%20Check%20it%20out%3A&url=https%3A//coderabbit.ai) - [Mastodon](https://mastodon.social/share?text=I%20just%20used%20%40coderabbitai%20for%20my%20code%20review%2C%20and%20it%27s%20fantastic%21%20It%27s%20free%20for%20OSS%20and%20offers%20a%20free%20trial%20for%20the%20proprietary%20code.%20Check%20it%20out%3A%20https%3A%2F%2Fcoderabbit.ai) - [Reddit](https://www.reddit.com/submit?title=Great%20tool%20for%20code%20review%20-%20CodeRabbit&text=I%20just%20used%20CodeRabbit%20for%20my%20code%20review%2C%20and%20it%27s%20fantastic%21%20It%27s%20free%20for%20OSS%20and%20offers%20a%20free%20trial%20for%20proprietary%20code.%20Check%20it%20out%3A%20https%3A//coderabbit.ai) - [LinkedIn](https://www.linkedin.com/sharing/share-offsite/?url=https%3A%2F%2Fcoderabbit.ai&mini=true&title=Great%20tool%20for%20code%20review%20-%20CodeRabbit&summary=I%20just%20used%20CodeRabbit%20for%20my%20code%20review%2C%20and%20it%27s%20fantastic%21%20It%27s%20free%20for%20OSS%20and%20offers%20a%20free%20trial%20for%20proprietary%20code)
Tips ### Chat There are 3 ways to chat with [CodeRabbit](https://coderabbit.ai): - Review comments: Directly reply to a review comment made by CodeRabbit. Example: - `I pushed a fix in commit .` - `Generate unit testing code for this file.` - `Open a follow-up GitHub issue for this discussion.` - Files and specific lines of code (under the "Files changed" tab): Tag `@coderabbitai` in a new review comment at the desired location with your query. Examples: - `@coderabbitai generate unit testing code for this file.` - `@coderabbitai modularize this function.` - PR comments: Tag `@coderabbitai` in a new PR comment to ask questions about the PR branch. For the best results, please provide a very specific query, as very limited context is provided in this mode. Examples: - `@coderabbitai generate interesting stats about this repository and render them as a table.` - `@coderabbitai show all the console.log statements in this repository.` - `@coderabbitai read src/utils.ts and generate unit testing code.` - `@coderabbitai read the files in the src/scheduler package and generate a class diagram using mermaid and a README in the markdown format.` - `@coderabbitai help me debug CodeRabbit configuration file.` Note: Be mindful of the bot's finite context window. It's strongly recommended to break down tasks such as reading entire modules into smaller chunks. For a focused discussion, use review comments to chat about specific files and their changes, instead of using the PR comments. ### CodeRabbit Commands (invoked as PR comments) - `@coderabbitai pause` to pause the reviews on a PR. - `@coderabbitai resume` to resume the paused reviews. - `@coderabbitai review` to trigger an incremental review. This is useful when automatic reviews are disabled for the repository. - `@coderabbitai full review` to do a full review from scratch and review all the files again. - `@coderabbitai summary` to regenerate the summary of the PR. - `@coderabbitai resolve` resolve all the CodeRabbit review comments. - `@coderabbitai configuration` to show the current CodeRabbit configuration for the repository. - `@coderabbitai help` to get help. Additionally, you can add `@coderabbitai ignore` anywhere in the PR description to prevent this PR from being reviewed. ### CodeRabbit Configuration File (`.coderabbit.yaml`) - You can programmatically configure CodeRabbit by adding a `.coderabbit.yaml` file to the root of your repository. - Please see the [configuration documentation](https://docs.coderabbit.ai/guides/configure-coderabbit) for more information. - If your editor has YAML language server enabled, you can add the path at the top of this file to enable auto-completion and validation: `# yaml-language-server: $schema=https://coderabbit.ai/integrations/schema.v2.json` ### Documentation and Community - Visit our [Documentation](https://coderabbit.ai/docs) for detailed information on how to use CodeRabbit. - Join our [Discord Community](https://discord.com/invite/GsXnASn26c) to get help, request features, and share feedback. - Follow us on [X/Twitter](https://twitter.com/coderabbitai) for updates and announcements.
jan-janssen commented 4 months ago

Waiting for https://github.com/lammps/lammps/issues/4253

dependabot[bot] commented 3 months ago

OK, I won't notify you again about this release, but will get in touch when a new version is available. If you'd rather skip all updates until the next major or minor version, let me know by commenting @dependabot ignore this major version or @dependabot ignore this minor version. You can also ignore all major, minor, or patch releases for a dependency by adding an ignore condition with the desired update_types to your config file.

If you change your mind, just re-open this PR and I'll resolve any conflicts on it.