From acd9183badeb4d6d8abcff449d76c0fa9f10222f Mon Sep 17 00:00:00 2001 From: Caspar van Leeuwen Date: Thu, 28 Aug 2025 17:00:54 +0200 Subject: [PATCH 1/4] Rebuild LAMMPS --- ...0828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml | 8 ++++++++ 1 file changed, 8 insertions(+) create mode 100644 easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml new file mode 100644 index 0000000000..50a45e3b08 --- /dev/null +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml @@ -0,0 +1,8 @@ +# We'll rebuild all CUDA software, for various reasons +# 1. We now have a proper CUDA sanity check, and if anything was 'wrong' with our current CUDA installs, we'd like +# to know about it +# 2. The PR implementing a CI to check for differences between officially supported CUDA Compute Capabilities shows +# that there are a lot of missing installations https://github.com/EESSI/software-layer/pull/1087 . A rebuild PR like +# this will have the convenient side effect of filling all those holes +easyconfigs: + - LAMMPS-2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1.eb From 720c712650943e683a64ecfd56210864a36577bb Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Thu, 25 Sep 2025 13:19:52 +0200 Subject: [PATCH 2/4] set commit to be able to ovewrite the kokkos_arch for ARM generic --- .../20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml index 50a45e3b08..9d484efbdc 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml @@ -6,3 +6,5 @@ # this will have the convenient side effect of filling all those holes easyconfigs: - LAMMPS-2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1.eb + options: + include-easyblocks-from-commit: 338c31724aa3dc58223ec35120d4c18d1bdf8d94 From 2798f0879e295a3074216e47f5e63990d3c17e99 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Thu, 25 Sep 2025 14:08:11 +0200 Subject: [PATCH 3/4] fix syntax in yml --- .../20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml index 9d484efbdc..31bbbba16f 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml @@ -5,6 +5,6 @@ # that there are a lot of missing installations https://github.com/EESSI/software-layer/pull/1087 . A rebuild PR like # this will have the convenient side effect of filling all those holes easyconfigs: - - LAMMPS-2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1.eb + - LAMMPS-2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1.eb: options: include-easyblocks-from-commit: 338c31724aa3dc58223ec35120d4c18d1bdf8d94 From 2b13d91e4effadcac03de0daf7f29ed1eb14d28f Mon Sep 17 00:00:00 2001 From: ocaisa Date: Fri, 26 Sep 2025 10:34:33 +0200 Subject: [PATCH 4/4] Apply suggestion from @ocaisa --- ...20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml index 31bbbba16f..4bb1c104bf 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-LAMMPS-for-cuda-sanity-check.yml @@ -7,4 +7,6 @@ easyconfigs: - LAMMPS-2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1.eb: options: - include-easyblocks-from-commit: 338c31724aa3dc58223ec35120d4c18d1bdf8d94 + # See https://github.com/easybuilders/easybuild-easyblocks/pull/3943 + # and https://github.com/easybuilders/easybuild-easyblocks/pull/3945 + include-easyblocks-from-commit: 6a0f356cda727feaaf79fdb72ae2cfbe48bbdf28