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Add vasp variant to control shmem compile options (#33531)

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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.
This commit is contained in:
rfbgo 2022-10-27 15:59:06 -06:00 committed by GitHub
parent 3e966f2547
commit 67585fe13e
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1 changed files with 6 additions and 1 deletions
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7
var/spack/repos/builtin/packages/vasp/package.py
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@ -46,6 +46,8 @@ class Vasp(MakefilePackage):
"https://github.com/henniggroup/VASPsol", "https://github.com/henniggroup/VASPsol",
) )
variant("shmem", default=True, description="Enable use_shmem build flag")
depends_on("rsync", type="build") depends_on("rsync", type="build")
depends_on("blas") depends_on("blas")
depends_on("lapack") depends_on("lapack")
@ -151,8 +153,11 @@ def setup_build_environment(self, spack_env):
"-Davoidalloc", "-Davoidalloc",
"-Duse_bse_te", "-Duse_bse_te",
"-Dtbdyn", "-Dtbdyn",
"-Duse_shmem",
] ]
if "+shmem" in spec:
cpp_options.append("-Duse_shmem")
if "%nvhpc" in self.spec: if "%nvhpc" in self.spec:
cpp_options.extend(['-DHOST=\\"LinuxPGI\\"', "-DPGI16", "-Dqd_emulate"]) cpp_options.extend(['-DHOST=\\"LinuxPGI\\"', "-DPGI16", "-Dqd_emulate"])
elif "%aocc" in self.spec: elif "%aocc" in self.spec: