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Custom_EasyBlocks

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    • Name Last commit Last update
    ..
    generic
    README.md
    allinea.py
    code_saturne.py
    cp2k.py
    cpmd.py
    cuda.py
    elpa.py
    gromacs.py
    julia.py
    juliabundle.py
    juliapackage.py
    lammps.py
    mpich.py
    namd.py
    numexpr.py
    nvidia_driver.py
    psmpi.py
    suitesparse.py
    sundials.py
    vmd.py
    README.md

    Custom EasyBlocks

    Overview of the custom EasyBlocks.

    allinea

    • added by s.achilles
    • needed because we need to allow multiple license files
    • difference compared to upstream the aforementioned parameter
    • can not be removed at least until that option is merged upstream

    MPICH

    • added by d.alvarez
    • needed because optional check_static_libs parameter in the sanity check (used with psmpi.py)
    • difference compared to upstream the aforementioned parameter
    • can not be removed at least until that option (needed just for psmpi.py) is merged upstream

    PSMPI

    • added by d.alvarez
    • needed because PGO options needed to build in JURECA booster. CUDA support
    • difference compared to upstream all the supporting code to enable the 2 things mentioned above
    • can not be removed at least until the PGO options are dropped (when JURECA booster is decomissioned) and the CUDA options are pushed upstream

    CODE_SATURNE

    • added by m.cakircali
    • needed because there is no support to install code_saturn upstream
    • can not be removed at least until the easyblock is added upstream

    CUDA

    numexpr

    NVIDIA_DRIVER

    • added by d.alvarez
    • needed because we custom-install the NVIDIA driver libraries in the EB stack
    • can not be removed at least until the easyblock is added upstream

    generic/SYSTEM_BUNDLE

    • added by d.alvarez
    • needed because it is the basic support for the MPI settings modules
    • can not be removed

    SUITESPARSE

    • added by d.alvarez
    • needed because added CUDA-related tweaks not present in upstream
    • difference compared to upstream the aforementioned
    • can not be removed Once the PR is merged upstream. Hopefully with the next release

    JULIA

    • added by j.goebbert
    • needed because we offer more functionality compared to upstream
    • difference compared to upstream upstream has not yet an EasyBlock for julia, juliabundle and juliapackage
    • can not be removed once merged with upstream

    VMD

    • added by j.goebbert
    • needed because we replaced the Mesa module by our own OpenGL module compared to upstream
    • difference compared to upstream upstream checks for Mesa inside the easyblock
    • can not be removed once upstream uses our OpenGL module

    GROMACS

    • added_by j.meinke
    • needed because want to use easyconfig parameters to determine CUDA capability.
    • difference compared to upstream upstream doesn't have such a feature
    • can not be removed until merged upstream

    LAMMPS

    • added_by d.alvarez
    • needed because upstream does not include the changes that we used in the latest stage
    • difference compared to upstream various, done by Alan
    • can not be removed until merged upstream or the changes here are deprecated (need to be assesed by an expert)

    NAMD

    • added_by d.alvarez
    • needed because need to disable CUDA support even if CUDA comes as a dependency
    • difference compared to upstream upstream doesn't have such a feature
    • can not be removed until merged upstream

    ELPA

    CP2K

    • added_by th.mueller
    • needed because support for libvori; alternative versions of dbcsr; contains loads of widely obsolete stuff; is essentially a highly non-portable easyblock working only with intel and gnu (which I am not going to change!); running the tests will not work within an eb environment - at least not sensibly.
    • difference compared to upstream no support for libvori
    • can not be removed