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nwchem: remove -mtune=native flags (#37892)

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Co-authored-by: Edoardo Aprà <edoardo.apra@gmail.com>
This commit is contained in:
Carlos Bederián 2023-06-07 04:02:35 -03:00 committed by GitHub
parent 5f1bc15e80
commit b313b28e64
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4
var/spack/repos/builtin/packages/nwchem/package.py
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@ -67,12 +67,16 @@ def install(self, spec, prefix):
"MRCC_METHODS=y", # TCE extra module
"IPCCSD=y", # TCE extra module
"EACCSD=y", # TCE extra module
"V=1", # verbose build
]
)
if self.spec.satisfies("@7.2.0:"):
args.extend(["NWCHEM_MODULES=all python gwmol"])
args.extend(["USE_HWOPT=n"])
else:
args.extend(["NWCHEM_MODULES=all python"])
# archspec flags are injected through the compiler wrapper
filter_file("(-mtune=native|-mcpu=native|-xHost)", "", "src/config/makefile.h")
# TODO: query if blas/lapack/scalapack uses 64bit Ints
# A flag to distinguish between 32bit and 64bit integers in linear