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- Aarch64: fix tests and enable neon support
- Tests have race condition, run them serially

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baserev update by copy to link target

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- Update to 2024
  * Highlights:
    - The Colvars library can now be used natively from GROMACS. This
      simplifies the use of advanced enhanced sampling simulations.
    - Reduced artifacts from Lennard-Jones pair interactions on the 
      pressure by a configurable increase of the Verlet buffer. Can 
      lead to a slight performance loss, especially for coarse-grained
      systems.
    - Corrected several aspects of the deform option. Now simulations with 
      box deformation behave correctly under high shear or when a solid or 
      membrane fractures. This also means that the deform option is now 
      suitable for computing viscosities.
    - New option for hydrogen mass repartitioning in grompp enables easy 
      access to performance improvements.
    - Improvements to AWH, such as better control of the histogram growth 
      factor as well as enabling automatic scaling of the target distribution 
      based on the AWH friction metric.
    - Configurable HeFFTe multi-GPU FFT options lets users fine-tune the
      settings for specific use-cases.
  * See https://manual.gromacs.org/2024.0/release-notes/index.html

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- Update to 2023
  * Highlights:
    - The SYCL GPU implementation, which is the GPU portability
      layer that supports all major GPU platforms, has received
      major extensions in support for both platforms and features.
      To ensure portability in practice, the GROMACS GPU portability
      layer is actively developed with multiple SYCL implementations
      (hipSYCL, oneAPI DPC++, IntelLLVM) and regularly tested on
      multiple GPU backends.
      - SYCL supports more GPU offload features: bonded forces and
        direct GPU-GPU communication with GPU-aware MPI.
      - SYCL hardware support includes AMD (including RDNA support
        added here) and Intel for production as well as NVIDIA GPUs
        (not for production).
      - SYCL optimizations targeting important HPC platforms.
    - PME decomposition has been optimized and extended to support
      offloading the entire PME calculation to multiple GPUs,
      including the FFT computation; when combined with cuFFTmp or
      heFFTe this enables much improved strong scaling
      (experimental feature).
    - CUDA Graph support has been added to execute GPU-resident
      single-/multi-GPU simulations using thread-MPI entirely on the
      GPU to improve performance (experimental feature).
    - New ensemble temperature mdp options allow setting the
      temperature of the ensemble for simulations without
      temperature coupling or with different reference temperatures.
    - With gmx dssp, GROMACS now has a native implementation of the
      DSSP algorithm, which replaces gmx do_dssp.
  * See https://manual.gromacs.org/2023/release-notes/index.html
- Update to 2022.6
  * Bugfix release, see
    https://manual.gromacs.org/2023/release-notes/2022/2022.6.html
- Update to 2022.5
  * Bugfix release, see
    https://manual.gromacs.org/2023/release-notes/2022/2022.5.html

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- Update to 2022.4
  * Bugfix release, see
    https://manual.gromacs.org/current/release-notes/2022/2022.4.html

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- Exclude MPI flavor on 32 bit architectures, as MPI communication
  does not work correctly.

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- Fix aarch64 build on 15.x, add relax_test_tolerance.patch
- Relax memory and disk constraints

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The test still timeout on Tumbleweed for the openmpi version, for unknown reasons, a local build on TW finishes without problems.

- Use system muparser package, drop libmuparser2 subpackage
- Use system zlib
- Remove bogus/broken library package obsoletes and provides
- Build openmpi version in separate _multibuild

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- Update to 2022.3
  * Bugfix release, see
    https://manual.gromacs.org/current/release-notes/2022/2022.3.html
- Update to 2022.2
  * Bugfix release, see
    https://manual.gromacs.org/current/release-notes/2022/2022.2.html
- Update to 2022.1
  * Highlights:
    - Free-energy kernels are accelerated using SIMD, which make
      free-energy calculations up to three times as fast when using GPUs
    - A new formulation of the soft-cored non-bonded interactions for
      free-energy calculations allows for a finer control of the alchemical
      transformation pathways
    - New transformation pull coordinate allows arbitrary mathematical
      transformations of one of more other pull coordinates
    - New interface for multi-scale Quantum Mechanics / Molecular
      Mechanics (QM/MM) simulations with the CP2K quantum chemistry package,
      supporting periodic boundary conditions.
    - grompp performance improvements
    - Cool quotes music playlist
    - Additional features were ported to modular simulator
    - Added AMD GPU support with SYCL via hipSYCL
    - More GPU offload features supported with SYCL (PME, GPU update).
    - Improved parallelization with GPU-accelerated runs using CUDA and
      extended GPU direct communication to support multi-node simulation
      using CUDA-aware MPI.
    
  * See https://manual.gromacs.org/current/release-notes/2022/2022.1.html
- split off libmuparser2 into separate package

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- devel package requires binaries as well

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