From 4b6840d1645a6bc0e8e2315330c26d0186d0cfe7 Mon Sep 17 00:00:00 2001 From: laraPPr Date: Tue, 7 Apr 2026 12:40:25 +0200 Subject: [PATCH 01/30] {2025.06}[foss/2024a] LAMMPS 22Jul2025 with CUDA --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml | 6 ++++++ 1 file changed, 6 insertions(+) create mode 100644 easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml new file mode 100644 index 0000000000..11965772fe --- /dev/null +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml @@ -0,0 +1,6 @@ +easyconfigs: + - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb + options: + # See https://github.com/easybuilders/easybuild-easyconfigs/pull/25133 + # and https://github.com/easybuilders/easybuild-easyconfigs/pull/25593 + from-commit: e2dedae93022d7e3f10bf2983ca8a03b03b0dca0 From 51fb21ce98f5f25b87ed122fee349762991e2d0d Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Tue, 7 Apr 2026 13:32:10 +0200 Subject: [PATCH 02/30] add missing double point --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml index 11965772fe..733626628d 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.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: options: # See https://github.com/easybuilders/easybuild-easyconfigs/pull/25133 # and https://github.com/easybuilders/easybuild-easyconfigs/pull/25593 From c8fddd2c0d3310cb7546dea7bc26cddfabc50a27 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Wed, 8 Apr 2026 09:49:34 +0200 Subject: [PATCH 03/30] add commit for easyblock --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml index 733626628d..15a469455d 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml @@ -4,3 +4,4 @@ easyconfigs: # See https://github.com/easybuilders/easybuild-easyconfigs/pull/25133 # and https://github.com/easybuilders/easybuild-easyconfigs/pull/25593 from-commit: e2dedae93022d7e3f10bf2983ca8a03b03b0dca0 + include-easyblocks-from-commit: 21f81aa1a3fd17f088826abb655d57cde80889c7 From 457685cd5c5edf004b8732e9b2ea5cc2f98619a4 Mon Sep 17 00:00:00 2001 From: laraPPr Date: Tue, 28 Apr 2026 10:14:07 +0200 Subject: [PATCH 04/30] use latest easybuild release --- ...025.06-eb-5.2.1-2024a.yml => eessi-2025.06-eb-5.3.0-2024a.yml} | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename easystacks/software.eessi.io/2025.06/accel/nvidia/{eessi-2025.06-eb-5.2.1-2024a.yml => eessi-2025.06-eb-5.3.0-2024a.yml} (100%) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml similarity index 100% rename from easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml rename to easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml From 47db9e3bf7907dd17a124c38636fcae14303a6b5 Mon Sep 17 00:00:00 2001 From: laraPPr Date: Tue, 28 Apr 2026 10:16:52 +0200 Subject: [PATCH 05/30] use latest easybuild release --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 7 +------ 1 file changed, 1 insertion(+), 6 deletions(-) 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 15a469455d..9ff961ebf5 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 @@ -1,7 +1,2 @@ easyconfigs: - - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: - options: - # See https://github.com/easybuilders/easybuild-easyconfigs/pull/25133 - # and https://github.com/easybuilders/easybuild-easyconfigs/pull/25593 - from-commit: e2dedae93022d7e3f10bf2983ca8a03b03b0dca0 - include-easyblocks-from-commit: 21f81aa1a3fd17f088826abb655d57cde80889c7 + - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb From 7f0bea34c99633baad33d38d18d03f234e379724 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 29 Jun 2026 17:41:18 +0200 Subject: [PATCH 06/30] use update easyblock for ARM builds Co-authored-by: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 5 ++++- 1 file changed, 4 insertions(+), 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 9ff961ebf5..bcb521895f 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 @@ -1,2 +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: 7bfe4f1553eba90ef8aa6dc7afc24911d2dcfc91 From 0a06b85310c64ddd8c3c0c428cc61b56308f9efe Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 29 Jun 2026 18:11:46 +0200 Subject: [PATCH 07/30] use from-pr for testing --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 3 ++- 1 file changed, 2 insertions(+), 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 bcb521895f..fda4916bc1 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 +2,5 @@ easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: 7bfe4f1553eba90ef8aa6dc7afc24911d2dcfc91 + # using from pr because updated kokkos easyblock is missing from commit + include-easyblocks-from-pr: 4175 From 6dbb7f558e78425111e12c9201f9fc2808043248 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 29 Jun 2026 18:14:21 +0200 Subject: [PATCH 08/30] try from commit with a commit for the LAMMPS and kokkos 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 fda4916bc1..ab35d872e8 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 @@ -3,4 +3,4 @@ easyconfigs: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: # using from pr because updated kokkos easyblock is missing from commit - include-easyblocks-from-pr: 4175 + include-easyblocks-from-commit: 7bfe4f1553eba90ef8aa6dc7afc24911d2dcfc91,d8d7ddc26dab2ac4130eee1c18d70a832526219d From 25fa2959a44b0d18778efe5302aad1708f793859 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 29 Jun 2026 18:25:22 +0200 Subject: [PATCH 09/30] use from pr for testing Co-authored-by: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> --- .../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 ab35d872e8..fda4916bc1 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 @@ -3,4 +3,4 @@ easyconfigs: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: # using from pr because updated kokkos easyblock is missing from commit - include-easyblocks-from-commit: 7bfe4f1553eba90ef8aa6dc7afc24911d2dcfc91,d8d7ddc26dab2ac4130eee1c18d70a832526219d + include-easyblocks-from-pr: 4175 From 172c35ddf46c6e58a7600bdc30976cce1ca6bebe Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Tue, 30 Jun 2026 08:10:12 +0200 Subject: [PATCH 10/30] use commit where kokkos was added --- .../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 fda4916bc1..d2b1a80fd0 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 @@ -3,4 +3,4 @@ easyconfigs: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: # using from pr because updated kokkos easyblock is missing from commit - include-easyblocks-from-pr: 4175 + include-easyblocks-from-commit: af55f6af71df862451b6020a0d20ee36618f3aaf From 8af0c7d7b4758aa7f9373e42bf0be04af21ece31 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Tue, 30 Jun 2026 11:17:15 +0200 Subject: [PATCH 11/30] use latest commit that also disables SVE on ARM --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) 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 d2b1a80fd0..cea03398d5 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 @@ -2,5 +2,4 @@ easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - # using from pr because updated kokkos easyblock is missing from commit - include-easyblocks-from-commit: af55f6af71df862451b6020a0d20ee36618f3aaf + include-easyblocks-from-commit: d0b1f84a2ce0f6e4bf77999ea0065a6f27ca326b From eddbca396bbd7f309e4b64ea798143efa75b6ff8 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Tue, 30 Jun 2026 11:58:04 +0200 Subject: [PATCH 12/30] Apply suggestion from @laraPPr --- .../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 cea03398d5..58fc81a77d 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 @@ easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: d0b1f84a2ce0f6e4bf77999ea0065a6f27ca326b + include-easyblocks-from-commit: 97ccefff2260e171f2618309af8325b2846c5a52 From 269db6db9a7bba8a020e27be22a88413fa1801f8 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Tue, 30 Jun 2026 12:31:23 +0200 Subject: [PATCH 13/30] Need a commit that touches both lamms and kokkos 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 58fc81a77d..c087650fd1 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 @@ easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: 97ccefff2260e171f2618309af8325b2846c5a52 + include-easyblocks-from-commit: 68feac46709864b7b61fd9aaa720124af4c9a7eb From 6a30df4a43aff0cba761c9705a89cc790fdd9c8c Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Tue, 30 Jun 2026 14:06:40 +0200 Subject: [PATCH 14/30] set kokkos arch differently --- .../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 c087650fd1..45c7f6e78b 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 @@ easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: 68feac46709864b7b61fd9aaa720124af4c9a7eb + include-easyblocks-from-commit: 616dc4918fc1ae8af06134374a1b45e827b9763b From 50ef06c32cbb5b4e65dd0fc24a48abf01c303ac3 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Wed, 1 Jul 2026 10:53:23 +0200 Subject: [PATCH 15/30] add easyconfig that builds with optarch false on ARM --- .../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 45c7f6e78b..219c62e449 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 @@ -3,3 +3,4 @@ easyconfigs: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: include-easyblocks-from-commit: 616dc4918fc1ae8af06134374a1b45e827b9763b + from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb From e417b97eea013c0c7951a05d3f1ac3124c210510 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Wed, 1 Jul 2026 11:56:40 +0200 Subject: [PATCH 16/30] Add more flags in the hope that neon is not picked up --- .../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 219c62e449..58ff4a2d4e 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 @@ -2,5 +2,5 @@ easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: 616dc4918fc1ae8af06134374a1b45e827b9763b + include-easyblocks-from-commit: d67b1fb210884246542bc4244126799486b1885c from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb From fe6a43c77cfaf127c8047ca621c6d247bc8b6730 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Wed, 1 Jul 2026 12:43:14 +0200 Subject: [PATCH 17/30] fix broken 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 58ff4a2d4e..9486d917c0 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 @@ -2,5 +2,5 @@ easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: d67b1fb210884246542bc4244126799486b1885c + include-easyblocks-from-commit: 542db356510f13d409a86fe65b931cdf8daf8ab8 from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb From aafcb4d23ded5998c6e5a271a9af36fe37d36c70 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Fri, 17 Jul 2026 06:25:18 +0200 Subject: [PATCH 18/30] use latest easyblock commit --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) 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 9486d917c0..3d2fdb524c 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 @@ -2,5 +2,6 @@ easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: 542db356510f13d409a86fe65b931cdf8daf8ab8 - from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb + include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 + # checking if we still need this I think so + # from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb From e190417d8cb609e8e9411846130964ec941554b5 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Fri, 17 Jul 2026 08:19:57 +0200 Subject: [PATCH 19/30] Still need the update to the config --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) 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 9e8577d4d2..3ee9ec759e 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 @@ -6,5 +6,4 @@ easyconfigs: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 - # checking if we still need this I think so - # from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb \ No newline at end of file + from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb From 99a9bf7bec1fd646a20928186297b53075ddd3f9 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Mon, 3 Aug 2026 10:47:37 +0200 Subject: [PATCH 20/30] use latest commit for easyblock pr for crosscompiling LAMMPS --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 6 +++++- 1 file changed, 5 insertions(+), 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 3ee9ec759e..5f51f21653 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 @@ -5,5 +5,9 @@ easyconfigs: - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: - include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 + # easyblock for working around neon issue + # include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 + # easyblock for crosscompiling lammp CUDA without device + # https://github.com/easybuilders/easybuild-easyblocks/pull/4190 + include-easyblocks-from-commit: 51c17022f27dda8cd7cb449da286e173eddd71c8 from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb From fc57f1299dd52f939b0e88091aa2643990430c76 Mon Sep 17 00:00:00 2001 From: laraPPr Date: Wed, 12 Aug 2026 15:01:13 +0200 Subject: [PATCH 21/30] merge with main and use latest easybuild --- .../accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml | 11 +---------- .../accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml | 9 +++++++++ 2 files changed, 10 insertions(+), 10 deletions(-) create mode 100644 easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.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 index 5f51f21653..c772fc0486 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 @@ -1,13 +1,4 @@ easyconfigs: -- Siesta-5.4.2-foss-2024a-CUDA-12.6.0.eb: + - Siesta-5.4.2-foss-2024a-CUDA-12.6.0.eb: options: from-commit: 6ed961daac38293265e3a952be732ae9244fc01c -- LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: - # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 - options: - # easyblock for working around neon issue - # include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 - # easyblock for crosscompiling lammp CUDA without device - # https://github.com/easybuilders/easybuild-easyblocks/pull/4190 - include-easyblocks-from-commit: 51c17022f27dda8cd7cb449da286e173eddd71c8 - from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml new file mode 100644 index 0000000000..67764bd8bf --- /dev/null +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml @@ -0,0 +1,9 @@ +easyconfigs: + - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: + # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 + options: + # easyblock for working around neon issue + # include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 + # easyblock for crosscompiling lammp CUDA without device + # https://github.com/easybuilders/easybuild-easyblocks/pull/4190 + include-easyblocks-from-commit: 38f267a1c491c17bea94784903c2b93fd59b2fea From ece9ef027368bd1ec15e182f2450a7cc29c3c8c2 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Fri, 4 Sep 2026 13:48:41 +0200 Subject: [PATCH 22/30] Apply suggestion from @laraPPr --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml index 67764bd8bf..74a3da5cb7 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml @@ -6,4 +6,4 @@ easyconfigs: # include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 # easyblock for crosscompiling lammp CUDA without device # https://github.com/easybuilders/easybuild-easyblocks/pull/4190 - include-easyblocks-from-commit: 38f267a1c491c17bea94784903c2b93fd59b2fea + include-easyblocks-from-commit: 8632c37243a1b3c301a7929eeeb409046e74843d From 8707311a9ce820f4793c9243b38df08c78dd5f30 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Wed, 9 Sep 2026 16:38:06 +0200 Subject: [PATCH 23/30] test if neon fix with optimasation works on grace hopper --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml index 68e6ef163d..bb9454bf44 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml @@ -4,7 +4,7 @@ easyconfigs: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: # easyblock for working around neon issue - # include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68 + include-easyblocks-from-commit: /d55d8ee6b84ba65645526f67d5cd36dd4c8f46f3 # easyblock for crosscompiling lammp CUDA without device # https://github.com/easybuilders/easybuild-easyblocks/pull/4190 - include-easyblocks-from-commit: 8632c37243a1b3c301a7929eeeb409046e74843d + # include-easyblocks-from-commit: 8632c37243a1b3c301a7929eeeb409046e74843d From b9e690b058105b93b73f5879a0843b7f9e14e5bf Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Thu, 10 Sep 2026 10:01:19 +0200 Subject: [PATCH 24/30] fix commit hash --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml index bb9454bf44..16fbda284a 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml @@ -4,7 +4,7 @@ easyconfigs: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: # easyblock for working around neon issue - include-easyblocks-from-commit: /d55d8ee6b84ba65645526f67d5cd36dd4c8f46f3 + include-easyblocks-from-commit: d55d8ee6b84ba65645526f67d5cd36dd4c8f46f3 # easyblock for crosscompiling lammp CUDA without device # https://github.com/easybuilders/easybuild-easyblocks/pull/4190 # include-easyblocks-from-commit: 8632c37243a1b3c301a7929eeeb409046e74843d From 9f19d61d6041cd20881ffafdc5fe0b1f11ef49f9 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Thu, 10 Sep 2026 11:22:12 +0200 Subject: [PATCH 25/30] Disable SVE for grace hopper --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml index 16fbda284a..735cc4fb45 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml @@ -4,7 +4,7 @@ easyconfigs: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: # easyblock for working around neon issue - include-easyblocks-from-commit: d55d8ee6b84ba65645526f67d5cd36dd4c8f46f3 + include-easyblocks-from-commit: 5b7df851acd9c513fdfba3ade9951287424afef0 # easyblock for crosscompiling lammp CUDA without device # https://github.com/easybuilders/easybuild-easyblocks/pull/4190 # include-easyblocks-from-commit: 8632c37243a1b3c301a7929eeeb409046e74843d From 194226b6bbddda6744d7b6dd1d7e54eda2d9cb85 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Thu, 10 Sep 2026 15:10:42 +0200 Subject: [PATCH 26/30] use latest commit --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml index 735cc4fb45..61d4ee98ef 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml @@ -4,7 +4,7 @@ easyconfigs: # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 options: # easyblock for working around neon issue - include-easyblocks-from-commit: 5b7df851acd9c513fdfba3ade9951287424afef0 + include-easyblocks-from-commit: adcdf2a00c7f1b32701ed4a942512fbb1765017a # easyblock for crosscompiling lammp CUDA without device # https://github.com/easybuilders/easybuild-easyblocks/pull/4190 # include-easyblocks-from-commit: 8632c37243a1b3c301a7929eeeb409046e74843d From 36113162380221ca940301b812282d28dd897de9 Mon Sep 17 00:00:00 2001 From: Kenneth Hoste Date: Tue, 15 Sep 2026 08:53:42 +0200 Subject: [PATCH 27/30] use latest commit from easyblocks PR 4222 for LAMMPS easyblock --- .../accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml | 9 +++------ 1 file changed, 3 insertions(+), 6 deletions(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml index 61d4ee98ef..7696b9f71d 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml @@ -1,10 +1,7 @@ easyconfigs: - ESPResSo-4.2.2-foss-2024a-CUDA-12.6.0.eb - LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb: - # https://github.com/easybuilders/easybuild-easyblocks/pull/4175 + # use enhanced easyblock that includes fixes for crosscompiling and Arm+CUDA, + # see https://github.com/easybuilders/easybuild-easyblocks/pull/4222 options: - # easyblock for working around neon issue - include-easyblocks-from-commit: adcdf2a00c7f1b32701ed4a942512fbb1765017a - # easyblock for crosscompiling lammp CUDA without device - # https://github.com/easybuilders/easybuild-easyblocks/pull/4190 - # include-easyblocks-from-commit: 8632c37243a1b3c301a7929eeeb409046e74843d + include-easyblocks-from-commit: 61cac9cb7bae9bbf10bfc4ca31cdcce16455986e From 2a7a420aa27d91332610f3bffe4ce3f81ec6c853 Mon Sep 17 00:00:00 2001 From: Kenneth Hoste Date: Wed, 16 Sep 2026 18:55:19 +0200 Subject: [PATCH 28/30] use latest commit from PR 4222 for LAMMPS easyblock --- .../2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml index 7696b9f71d..7e893c49c0 100644 --- a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.4.0-2024a.yml @@ -4,4 +4,4 @@ easyconfigs: # use enhanced easyblock that includes fixes for crosscompiling and Arm+CUDA, # see https://github.com/easybuilders/easybuild-easyblocks/pull/4222 options: - include-easyblocks-from-commit: 61cac9cb7bae9bbf10bfc4ca31cdcce16455986e + include-easyblocks-from-commit: 6ef7c4c151dc9f4cd5eec7d4ebdfe68b0f42e3de From fd8504bb871466c48e98441f339c98bac6302df9 Mon Sep 17 00:00:00 2001 From: laraPPr Date: Thu, 15 Oct 2026 16:27:49 +0200 Subject: [PATCH 29/30] use https://github.com/EESSI/software-layer-scripts/pull/326 --- bot/software_layer_scripts_commit | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/bot/software_layer_scripts_commit b/bot/software_layer_scripts_commit index 09d7ef2b2a..5eb4276a0b 100644 --- a/bot/software_layer_scripts_commit +++ b/bot/software_layer_scripts_commit @@ -1 +1 @@ -e7420f8fb3aec457eefd295e8b254fbbe924658d +39b58d02cf5901d0b8985e3720dca2fca53b6adf From 4bf9940ae6260399e753db2ce1d508e34d68f04e Mon Sep 17 00:00:00 2001 From: laraPPr Date: Fri, 16 Oct 2026 15:08:02 +0200 Subject: [PATCH 30/30] use latest commit of software_layer_scripts_commit --- bot/software_layer_scripts_commit | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/bot/software_layer_scripts_commit b/bot/software_layer_scripts_commit index 5eb4276a0b..f424d7bc01 100644 --- a/bot/software_layer_scripts_commit +++ b/bot/software_layer_scripts_commit @@ -1 +1 @@ -39b58d02cf5901d0b8985e3720dca2fca53b6adf +37ad7e903ec635727ab3c7ff0ff2f9e96a6b537e