From b313b28e64c15761be0d45a16c922c25b2786f76 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Carlos=20Bederi=C3=A1n?= Date: Wed, 7 Jun 2023 04:02:35 -0300 Subject: [PATCH] nwchem: remove -mtune=native flags (#37892) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Edoardo Aprà --- var/spack/repos/builtin/packages/nwchem/package.py | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/var/spack/repos/builtin/packages/nwchem/package.py b/var/spack/repos/builtin/packages/nwchem/package.py index 09a8c6ed85d..fb2aa601675 100644 --- a/var/spack/repos/builtin/packages/nwchem/package.py +++ b/var/spack/repos/builtin/packages/nwchem/package.py @@ -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