Build will fail with: FAILED: src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/libgromacs_generated_state_propagator_data_gpu_impl_gpu.cpp.o /var/tmp/portage/sci-chemistry/gromacs-2021.7/work/gromacs-2021.7_float/src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/libgromacs_generated_state_propagator_data_gpu_impl_gpu.cpp.o cd /var/tmp/portage/sci-chemistry/gromacs-2021.7/work/gromacs-2021.7_float/src/gromacs/CMakeFiles/libgromacs.dir/mdtypes && /usr/bin/cmake -E make_directory /var/tmp/portage/sci-chemistry/gromacs-2021.7/work/gromacs-2021.7_float/src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/. && /usr/bin/cmake -D verbose:BOOL=OFF -D build_configuration:STRING=RelWithDebInfo -D generated_file:STRING=/var/tmp/portage/sci-chemistry/gromacs-2021.7/work/gromacs-2021.7_float/src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/./libgromacs_generated_state_propagator_data_gpu_impl_gpu.cpp.o -D generated_cubin_file:STRING=/var/tmp/portage/sci-chemistry/gromacs-2021.7/work/gromacs-2021.7_float/src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/./libgromacs_generated_state_propagator_data_gpu_impl_gpu.cpp.o.cubin.txt -P /var/tmp/portage/sci-chemistry/gromacs-2021.7/work/gromacs-2021.7_float/src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/libgromacs_generated_state_propagator_data_gpu_impl_gpu.cpp.o.RelWithDebInfo.cmake nvcc fatal : Unsupported gpu architecture 'compute_35' CMake Error at libgromacs_generated_state_propagator_data_gpu_impl_gpu.cpp.o.RelWithDebInfo.cmake:220 (message): Error generating /var/tmp/portage/sci-chemistry/gromacs-2021.7/work/gromacs-2021.7_float/src/gromacs/CMakeFiles/libgromacs.dir/mdtypes/./libgromacs_generated_state_propagator_data_gpu_impl_gpu.cpp.o Maybe the version should be restricted to cuda <12 Thanks
Created attachment 856658 [details, diff] gromacs-2021-cuda-detection.patch I have backported the detection method from 2022 and it also fixes the problem allowing 2021.7 to work with cuda-12
The bug has been closed via the following commit(s): https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=dfb5e4969403efb9f58cfea999c35f09d613c1a3 commit dfb5e4969403efb9f58cfea999c35f09d613c1a3 Author: Alexey Shvetsov <alexxy@gentoo.org> AuthorDate: 2023-04-25 09:49:08 +0000 Commit: Alexey Shvetsov <alexxy@gentoo.org> CommitDate: 2023-04-25 09:50:01 +0000 sci-chemistry/gromacs: Fix build with cuda-12 Thanks to pacho@gentoo.org for patch Closes: https://bugs.gentoo.org/900204 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> .../files/gromacs-2021-cuda-detection.patch | 339 +++++++++++++++++++++ sci-chemistry/gromacs/gromacs-2021.7.ebuild | 5 +- 2 files changed, 343 insertions(+), 1 deletion(-)
