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Remove X11 flag fro GROMACS 2023+
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The support for `gmx view` was removed in version 2023 so X11 is no
longer a (optional) dependency.
Don't pass the flag to avoid warnings from CMake about unused params.
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Flamefire committed Oct 2, 2024
1 parent aff313d commit 2e60f84
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions easybuild/easyblocks/g/gromacs.py
Original file line number Diff line number Diff line change
Expand Up @@ -354,8 +354,9 @@ def configure_step(self):
# always specify to use external BLAS/LAPACK
self.cfg.update('configopts', "-DGMX_EXTERNAL_BLAS=ON -DGMX_EXTERNAL_LAPACK=ON")

# disable GUI tools
self.cfg.update('configopts', "-DGMX_X11=OFF")
if gromacs_version < '2023':
# disable GUI tools, removed in v2023
self.cfg.update('configopts', "-DGMX_X11=OFF")

# convince to build for an older architecture than present on the build node by setting GMX_SIMD CMake flag
# it does not make sense for Cray, because OPTARCH is defined by the Cray Toolchain
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