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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 #232

Closed dependabot[bot] closed 4 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


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jan-janssen commented 4 months ago

Waiting for https://github.com/conda-forge/mpi4py-feedstock/pull/76

dependabot[bot] commented 4 months ago

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