Add vasp variant to control shmem compile options (#33531)
Currently the vasp package always enables the use of shmem to reduce algorithm memory usage (see https://www.vasp.at/wiki/index.php/Precompiler_options). This is great,but on some systems gives compile errors with the interoperability of C and Fortran. This PR makes that shmem flag optional, but retains the existing default on behavior.
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@ -46,6 +46,8 @@ class Vasp(MakefilePackage):
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"https://github.com/henniggroup/VASPsol",
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)
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variant("shmem", default=True, description="Enable use_shmem build flag")
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depends_on("rsync", type="build")
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depends_on("blas")
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depends_on("lapack")
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@ -151,8 +153,11 @@ def setup_build_environment(self, spack_env):
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"-Davoidalloc",
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"-Duse_bse_te",
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"-Dtbdyn",
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"-Duse_shmem",
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]
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if "+shmem" in spec:
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cpp_options.append("-Duse_shmem")
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if "%nvhpc" in self.spec:
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cpp_options.extend(['-DHOST=\\"LinuxPGI\\"', "-DPGI16", "-Dqd_emulate"])
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elif "%aocc" in self.spec:
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