Prioritized Labels
  • High
    Used for reporting - do not delete
    GROMACS / GROMACS
  • gmxapi
    Public interfaces for installed GROMACS functionality.
    GROMACS / GROMACS
  • Bug
    Used for reporting - do not delete
    GROMACS / GROMACS
  • StatusAccepted
    Bug confirmed / Desirable feature.
    GROMACS / GROMACS
  • StatusFeedback-wanted
    Resolution pending additional feedback or response.
    GROMACS / GROMACS
  • StatusBlocked
    Progress requires feedback or other action.
    GROMACS / GROMACS
  • StatusFix uploaded
    Merge request is available for review.
    GROMACS / GROMACS
  • StatusIn Progress
    Assignee starts to work.
    GROMACS / GROMACS
  • StatusRejected
    Invalid report or not a desirable feature.
    GROMACS / GROMACS
  • StatusResolved
    The issue will be closed if there is no further discussion.
    GROMACS / GROMACS
  • StatusStale
    No activity for over six months.
    GROMACS / GROMACS
  • request
    Request by individuals used for reporting - do not delete
    GROMACS / GROMACS
  • Feature
    Used for reporting - do not delete
    GROMACS / GROMACS
  • Design discussion
    Issue records a conversation. May need to be resolved manually rather than through an MR.
    GROMACS / GROMACS
  • Task
    Used for reporting - do not delete
    GROMACS / GROMACS
  • Feedback wanted
    GROMACS / GROMACS
  • Live review
    GROMACS / GROMACS
  • densfit-transform
    GROMACS / GROMACS
  • SYCL
    GROMACS / GROMACS
  • Logging
    GROMACS / GROMACS
  • mts
    multiple time stepping
    GROMACS / GROMACS
  • build system
    Details for building GROMACS repository contents.
    GROMACS / GROMACS
  • core library
    `gmx::` namespace, internal library targets, and core GROMACS implementation details.
    GROMACS / GROMACS
  • analysis tools
    GROMACS / GROMACS
  • mdrun
    GROMACS / GROMACS
  • preprocessing
    pdb2gmx, etc
    GROMACS / GROMACS
  • grompp
    GROMACS / GROMACS
  • documentation
    GROMACS / GROMACS
  • testing
    CTest, googletest, pytest, regression tests, test support code and data in the repo for user driven and automated testing.
    GROMACS / GROMACS
  • selections
    GROMACS / GROMACS
  • releng
    GROMACS / GROMACS
  • Windows
    GROMACS / GROMACS
  • external-comm
    support for communications resources (e.g. MPI subcommunicator) shared between the library and external software.
    GROMACS / GROMACS
  • simulation-input
    efforts to encapsulate a SimulationInput abstraction for the product of grompp or TPR reading, consumable by `gmx::Mdrunner` and others
    GROMACS / GROMACS
  • Modular Simulator
    GROMACS / GROMACS
  • legacy API
    libgromacs and the older (deprecated) installed headers.
    GROMACS / GROMACS
  • python
    Python-specific code or infrastructure.
    GROMACS / GROMACS
  • ReleaseBlocker
    GROMACS / GROMACS
  • CMake
    CMake scripting and support for building targets within the repository, or for client software.
    GROMACS / GROMACS
  • Device code
    GROMACS / GROMACS
  • GPU acceleration
    GROMACS / GROMACS
  • CUDA
    GROMACS / GROMACS
  • Other Labels
  • 2019.6
    Affects version 2019.6
    GROMACS / GROMACS
  • 2020
    Affects version 2020
    GROMACS / GROMACS
  • 2020.1
    Affects version 2020.1
    GROMACS / GROMACS
  • 2020.2
    Affects version 2020.2
    GROMACS / GROMACS
  • 2020.4
    GROMACS / GROMACS
  • 2020.5
    GROMACS / GROMACS
  • 2020.6
    GROMACS / GROMACS
  • 2021
    GROMACS / GROMACS
  • 2021-rc1
    GROMACS / GROMACS
  • 2021.2
    GROMACS / GROMACS
  • 2021.3
    GROMACS / GROMACS
  • API restructuring
    Restructuring of the repository and installed headers. Invasive changes with little to no impact on functionality or interface exposure.
    GROMACS / GROMACS
  • AWH
    GROMACS / GROMACS
  • CI failure
    Test failing in CI, either due to infrastructure or code issues
    GROMACS / GROMACS
  • Doing
    GROMACS / GROMACS
  • Free energy calculations
    GROMACS / GROMACS
  • Low
    GROMACS / GROMACS
  • MPI
    MPI code paths and environment management
    GROMACS / GROMACS
  • OpenCL
    GROMACS / GROMACS
  • Policy
    Dependencies and requirements, code style, review, change management, or other procedures and guidelines.
    GROMACS / GROMACS