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gromacs: add conflict between NVSHMEM and cuFFTMp (#46065)

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* Add conflict between NVSHMEM and cuFFTMp for GROMACS package

These don't work in the same build configuration.

* [@spackbot] updating style on behalf of mabraham

* Update package.py

Also constrain NVSHMEM appropriately

* Update var/spack/repos/builtin/packages/gromacs/package.py

Co-authored-by: Andrey Alekseenko <al42and@gmail.com>

* Update package.py

* [@spackbot] updating style on behalf of mabraham

* Update package.py

* Update package.py

* Update package.py

* [@spackbot] updating style on behalf of mabraham

---------

Co-authored-by: mabraham <mabraham@users.noreply.github.com>
Co-authored-by: Christoph Junghans <christoph.junghans@gmail.com>
Co-authored-by: Andrey Alekseenko <al42and@gmail.com>
This commit is contained in:
Mark Abraham 2024-08-28 12:34:37 +02:00 committed by GitHub
parent 25ba3124bd
commit 202e64872a
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1 changed files with 11 additions and 2 deletions
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13
var/spack/repos/builtin/packages/gromacs/package.py
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@ -161,9 +161,18 @@ class Gromacs(CMakePackage, CudaPackage):
variant(
"nvshmem",
default=False,
description="Enable nvshmem support for nvidia gpus",
when="+cuda+mpi",
when="@2024:+mpi+cuda",
description="Enable NVSHMEM support for Nvidia GPUs",
)
conflicts(
"+nvshmem",
when="+cufftmp",
msg=(
"The GROMACS support for NVSHMEM does not work with the GROMACS support "
"for cuFFTMp (even though cuFFTMp uses NVSHMEM in its implementation)"
),
)
variant("openmp", default=True, description="Enables OpenMP at configure time")
variant("openmp_max_threads", default="none", description="Max number of OpenMP threads")
conflicts(