From 2e60f84ed2ceb7e62d5dc3ae2d0dbd96c7f13afc Mon Sep 17 00:00:00 2001 From: Alexander Grund Date: Wed, 2 Oct 2024 09:36:38 +0200 Subject: [PATCH] Remove X11 flag fro GROMACS 2023+ 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. --- easybuild/easyblocks/g/gromacs.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/easybuild/easyblocks/g/gromacs.py b/easybuild/easyblocks/g/gromacs.py index 6aa96f92ac..b73f36ce18 100644 --- a/easybuild/easyblocks/g/gromacs.py +++ b/easybuild/easyblocks/g/gromacs.py @@ -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