WIP: NWChem with patch and prerequisite GlobalArrays for Flexiblas. #85
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bartoldeman
requested changes
Dec 20, 2024
easybuild/easyconfigs/g/GlobalArrays/GlobalArrays-5.8.2-iofbf-2023a.eb
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@bartoldeman I've tried your changes (pushed to this PR), but still half of the tests fail. |
Need to use `--with-scalapack8` instead of `--with-scalapack` to tell GlobalArrays it's ILP64
We patch software without special module load messages usually
The easyblock does the right thing now, with framework changes to use `libflexiblas64_intel.so` and `libscalapack64.so` if `i8` is set to `True` in toolchainopts.
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This builds, but the tests fails. Likely an issue with flexiblas.
Instructions: build the included GlobalArrays first.