From 4c9a5696745fb4095c7b3e748bb3de715c072d36 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Fri, 17 Jul 2026 11:22:21 +0200 Subject: [PATCH 1/9] Hook for ctest when crosscompiling LAMMPS --- eb_hooks.py | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/eb_hooks.py b/eb_hooks.py index 4a9f1499..fdc2fa80 100644 --- a/eb_hooks.py +++ b/eb_hooks.py @@ -1765,6 +1765,18 @@ def pre_test_hook_Siesta_ignore_failure_with_crosscompilation(self, *args, **kwa self.cfg['testopts'] = re.sub(r"-E '(.*)'", rf"-E '\1|{extra_testopts}'", testopts) +def pre_test_hook_LAMMPS_skip_ctest_with_crosscompilation(self, *args, **kwargs): + """ + Ignore failing tests when crosscompiling without gpu present. + """ + if self.name == 'LAMMPS': + if self.version in ['22Jul2025']: + if 'CUDA' in self.cfg['versionsuffix']: + cuda_cc = build_option('cuda_compute_capabilities') + if cuda_cc and not get_gpu_info(): + self.cfg['runtest'] = False + + def pre_single_extension_hook(ext, *args, **kwargs): """Main pre-extension: trigger custom functions based on software name.""" if ext.name in PRE_SINGLE_EXTENSION_HOOKS: @@ -2249,6 +2261,7 @@ def post_easyblock_hook(self, *args, **kwargs): 'netCDF': pre_test_hook_ignore_failing_tests_netCDF, 'OpenBabel': pre_test_hook_ignore_failing_tests_OpenBabel_a64fx, 'PyTorch': pre_test_hook_increase_max_failed_tests_arm_PyTorch, + 'LAMMPS': pre_test_hook_LAMMPS_skip_ctest_with_crosscompilation, } PRE_SINGLE_EXTENSION_HOOKS = { From e69181d10019dec50eb34b0fd1b9bcd13c228e89 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Fri, 17 Jul 2026 11:32:37 +0200 Subject: [PATCH 2/9] add yml --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 4 ++++ 1 file changed, 4 insertions(+) create mode 100644 easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml new file mode 100644 index 00000000..6c45e9b7 --- /dev/null +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml @@ -0,0 +1,4 @@ +- LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: + # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 + options: + include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 From faa4cecb2676152d9640d9bbeb0a0a6dcbe30b17 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Fri, 17 Jul 2026 18:06:47 +0200 Subject: [PATCH 3/9] fix yml --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml index 6c45e9b7..4900582b 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml @@ -1,3 +1,4 @@ + easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: From 2907636f1cf46306c327ef21aa91906fc0ce19d3 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 20 Jul 2026 11:05:25 +0200 Subject: [PATCH 4/9] fix yaml --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml index 4900582b..f60d9725 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml @@ -1,5 +1,5 @@ easyconfigs: -- LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: + - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 From 5b15c8ef65833a5df09c012c4c46f18c17792274 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 27 Jul 2026 10:43:14 +0200 Subject: [PATCH 5/9] use lastest commit of LAMMPS EasyBlock --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml index f60d9725..7bbd2e92 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml @@ -2,4 +2,4 @@ - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 + include-easyblocks-from-commit: 30f2879ba9e7cabe51185cc979eddda3699cbff2 From a91a1ccaa89147d94c84b57263bee91b477e20b8 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 27 Jul 2026 14:24:41 +0200 Subject: [PATCH 6/9] use latest commit --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml index 7bbd2e92..67899f0b 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml @@ -2,4 +2,4 @@ - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: 30f2879ba9e7cabe51185cc979eddda3699cbff2 + include-easyblocks-from-commit: 81004dfa55c018f71ff5e9c21ff0639ef813a756 From d1fe8c58cebb47054e1946af02d5d6610080daba Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 27 Jul 2026 14:44:49 +0200 Subject: [PATCH 7/9] use latest commit --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml index 67899f0b..9b54dc04 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml @@ -2,4 +2,4 @@ - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: 81004dfa55c018f71ff5e9c21ff0639ef813a756 + include-easyblocks-from-commit: 2f51bece6316bf9b894db839e7a855ebf57a5c6c From 7353f5c225b9e3ea60ef1fefc6646cbb80aa7d1d Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 27 Jul 2026 16:26:50 +0200 Subject: [PATCH 8/9] use latest commit --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml index 9b54dc04..5b55ca29 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml @@ -2,4 +2,4 @@ - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: 2f51bece6316bf9b894db839e7a855ebf57a5c6c + include-easyblocks-from-commit: b01dd96132f3af481428b35352bc812f0da77741 From 797cf7bc8d7fbb49075405dd304320a7ee8a4864 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 27 Jul 2026 19:27:01 +0200 Subject: [PATCH 9/9] use latest commit --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml index 5b55ca29..940d9fae 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml @@ -2,4 +2,4 @@ - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: b01dd96132f3af481428b35352bc812f0da77741 + include-easyblocks-from-commit: 68dbf66e4592d5959c06da99b7ef33bd1b62ae0f