Skip to content
Permalink

Comparing changes

Choose two branches to see what’s changed or to start a new pull request. If you need to, you can also or learn more about diff comparisons.

Open a pull request

Create a new pull request by comparing changes across two branches. If you need to, you can also . Learn more about diff comparisons here.
base repository: openmm/openmmforcefields
Failed to load repositories. Confirm that selected base ref is valid, then try again.
Loading
base: 0.14.1
Choose a base ref
...
head repository: openmm/openmmforcefields
Failed to load repositories. Confirm that selected head ref is valid, then try again.
Loading
compare: 0.14.2
Choose a head ref
  • 15 commits
  • 10 files changed
  • 6 contributors

Commits on Jul 29, 2024

  1. run latest version of openmm in CI (#345)

    * run latest version of openmm
    
    * run n, n-1 openmm versions
    mikemhenry authored Jul 29, 2024
    Configuration menu
    Copy the full SHA
    72431bb View commit details
    Browse the repository at this point in the history

Commits on Nov 13, 2024

  1. [pre-commit.ci] pre-commit autoupdate (#349)

    * [pre-commit.ci] pre-commit autoupdate
    
    updates:
    - [github.com/astral-sh/ruff-pre-commit: v0.5.1 → v0.6.9](astral-sh/ruff-pre-commit@v0.5.1...v0.6.9)
    
    * [pre-commit.ci] auto fixes from pre-commit.com hooks
    
    for more information, see https://pre-commit.ci
    
    ---------
    
    Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
    pre-commit-ci[bot] authored Nov 13, 2024
    Configuration menu
    Copy the full SHA
    db6e7b2 View commit details
    Browse the repository at this point in the history
  2. Bump mamba-org/setup-micromamba from 1 to 2 (#348)

    Bumps [mamba-org/setup-micromamba](https://github.com/mamba-org/setup-micromamba) from 1 to 2.
    - [Release notes](https://github.com/mamba-org/setup-micromamba/releases)
    - [Commits](mamba-org/setup-micromamba@v1...v2)
    
    ---
    updated-dependencies:
    - dependency-name: mamba-org/setup-micromamba
      dependency-type: direct:production
      update-type: version-update:semver-major
    ...
    
    Signed-off-by: dependabot[bot] <[email protected]>
    Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
    Co-authored-by: Matt Thompson <[email protected]>
    dependabot[bot] and mattwthompson authored Nov 13, 2024
    Configuration menu
    Copy the full SHA
    6e0c3c3 View commit details
    Browse the repository at this point in the history

Commits on Nov 15, 2024

  1. Bump codecov/codecov-action from 4 to 5 (#353)

    * Bump codecov/codecov-action from 4 to 5
    
    Bumps [codecov/codecov-action](https://github.com/codecov/codecov-action) from 4 to 5.
    - [Release notes](https://github.com/codecov/codecov-action/releases)
    - [Changelog](https://github.com/codecov/codecov-action/blob/main/CHANGELOG.md)
    - [Commits](codecov/codecov-action@v4...v5)
    
    ---
    updated-dependencies:
    - dependency-name: codecov/codecov-action
      dependency-type: direct:production
      update-type: version-update:semver-major
    ...
    
    Signed-off-by: dependabot[bot] <[email protected]>
    
    * Update ci.yaml
    
    ---------
    
    Signed-off-by: dependabot[bot] <[email protected]>
    Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
    Co-authored-by: Matt Thompson <[email protected]>
    dependabot[bot] and mattwthompson authored Nov 15, 2024
    Configuration menu
    Copy the full SHA
    7a32d2d View commit details
    Browse the repository at this point in the history

Commits on Feb 27, 2025

  1. try removing cmmremover

    j-wags authored Feb 27, 2025
    Configuration menu
    Copy the full SHA
    d3f529e View commit details
    Browse the repository at this point in the history
  2. Configuration menu
    Copy the full SHA
    ecb5ccd View commit details
    Browse the repository at this point in the history
  3. Test new ambertools 24 build (#361)

    * test if CI is green
    
    * github has removed macos-12 runners
    
    * something is weird with the ambertools build on macos-13
    
    * test new ambertools 23 build
    
    * try older build
    
    * test new ambertools build
    
    * bump ci
    
    * update the openmm versions we test
    
    * don't test on intel macs
    mikemhenry authored Feb 27, 2025
    Configuration menu
    Copy the full SHA
    7565e25 View commit details
    Browse the repository at this point in the history
  4. Implement code suggestions

    j-wags authored Feb 27, 2025
    Configuration menu
    Copy the full SHA
    f918615 View commit details
    Browse the repository at this point in the history
  5. Configuration menu
    Copy the full SHA
    07c097d View commit details
    Browse the repository at this point in the history
  6. Configuration menu
    Copy the full SHA
    27b70f4 View commit details
    Browse the repository at this point in the history
  7. Configuration menu
    Copy the full SHA
    cf1293b View commit details
    Browse the repository at this point in the history
  8. undownpin interchange

    j-wags authored Feb 27, 2025
    Configuration menu
    Copy the full SHA
    8941f7e View commit details
    Browse the repository at this point in the history

Commits on Feb 28, 2025

  1. Configuration menu
    Copy the full SHA
    423c488 View commit details
    Browse the repository at this point in the history
  2. Merge pull request #367 from j-wags/remove-cmmremover

    Remove CMMRemover (if present) in SMIRNOFFTemplateGenerator
    epretti authored Feb 28, 2025
    Configuration menu
    Copy the full SHA
    b941f77 View commit details
    Browse the repository at this point in the history

Commits on Mar 4, 2025

  1. Maintenance updates (#355)

    * [pre-commit.ci] pre-commit autoupdate
    
    updates:
    - [github.com/astral-sh/ruff-pre-commit: v0.6.9 → v0.8.6](astral-sh/ruff-pre-commit@v0.6.9...v0.8.6)
    
    * [pre-commit.ci] auto fixes from pre-commit.com hooks
    
    for more information, see https://pre-commit.ci
    
    * Exclude messier/auto-generated code, update
    
    * Update pyproject.toml
    
    Co-authored-by: Evan Pretti <[email protected]>
    
    * Run tests in serial
    
    * Re-enable parallel tests
    
    ---------
    
    Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
    Co-authored-by: Matthew W. Thompson <[email protected]>
    Co-authored-by: Evan Pretti <[email protected]>
    3 people authored Mar 4, 2025
    Configuration menu
    Copy the full SHA
    e6e6248 View commit details
    Browse the repository at this point in the history
Loading