Support GROMACS builds with SYCL (AdaptiveCpp implementation) #3077
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akesandgren
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Jan 19, 2024
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| assert LooseVersion(self.version) >= LooseVersion('2023'), \ | ||
| 'SYCL support is not available for this GROMACS version' |
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@boegel Do we want to use assert in easyblocks like this?
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This expands the
gromacseasyblock to allow GPU-enabled GROMACS builds using the SYCL backend via the AdaptiveCpp (formerly known as hipSYCL / Open SYCL) implementation of SYCL. I will soon open another PR for easyconfigs where this easyblock is used in a GROMACS-2023.3 build for AMD GPUs.