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

• added by s.achilles
• needed because https://github.com/easybuilders/easybuild-easyblocks/pull/2593
• can not be removed Once the PR is merged upstream. Likely with v4.5.0

numexpr

• added by s.achilles
• needed because https://github.com/easybuilders/easybuild-easyblocks/pull/2678
• can not be removed until the PR is merged upstream. Likely with v4.5.4

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

• added_by d.alvarez
• needed because to autodetect CUDA and support CUDA compute capabilities
• difference compared to upstream upstream doesn't have such a feature
• can not be removed until merged upstream (https://github.com/easybuilders/easybuild-easyblocks/pull/2673)

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