From 1b24612a52805c19ca3115dd262e4a1896124be1 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Tue, 26 Nov 2024 13:14:01 +0100 Subject: [PATCH 1/4] add GROMACS-2024.4-foss-2023b-CUDA-12.4.0.eb --- .../accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml index 5f195b3714..05025290f2 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml @@ -3,3 +3,7 @@ easyconfigs: options: accept-eula-for: CUDA - UCX-CUDA-1.15.0-GCCcore-13.2.0-CUDA-12.4.0.eb + - GROMACS-2024.4-foss-2023b-CUDA-12.4.0.eb: + options: + # see https://github.com/easybuilders/easybuild-easyconfigs/pull/21549 + from-commit: 12b53341343967ce5a402fe8190a3c85bce7d49b From 6dffc9f3f487abf379623cf17d1a0139b2f3e2bb Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Sat, 30 Nov 2024 13:49:06 +0100 Subject: [PATCH 2/4] use CMakeMake easyblock from PR 3523 for GROMACS --- .../2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml index 05025290f2..c3d057653d 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml @@ -7,3 +7,5 @@ easyconfigs: options: # see https://github.com/easybuilders/easybuild-easyconfigs/pull/21549 from-commit: 12b53341343967ce5a402fe8190a3c85bce7d49b + # see https://github.com/easybuilders/easybuild-easyblocks/pull/3523 + include-easyblocks-from-commit: ee216590a83315ab7e6deaddcdb1030502a3e9fb From 862e6e0d70e8e9b6675d2d11602d2097db928f02 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Mon, 2 Dec 2024 14:19:24 +0100 Subject: [PATCH 3/4] use newer cmakemake.py easyblock for GROMACS --- .../2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml index f478b5cd30..dafc5c6a7d 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml @@ -16,4 +16,4 @@ easyconfigs: # see https://github.com/easybuilders/easybuild-easyconfigs/pull/21549 from-commit: 12b53341343967ce5a402fe8190a3c85bce7d49b # see https://github.com/easybuilders/easybuild-easyblocks/pull/3523 - include-easyblocks-from-commit: ee216590a83315ab7e6deaddcdb1030502a3e9fb + include-easyblocks-from-commit: 0857b9fbcab2f975408aa59623d128aa75e00d5c From 2c43034222d588ca4f7448a082aa6891775d6bae Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Mon, 2 Dec 2024 15:21:09 +0100 Subject: [PATCH 4/4] use updated version of cmakemake easyblock --- .../2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml index dafc5c6a7d..e6562e68a3 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023b-CUDA.yml @@ -16,4 +16,4 @@ easyconfigs: # see https://github.com/easybuilders/easybuild-easyconfigs/pull/21549 from-commit: 12b53341343967ce5a402fe8190a3c85bce7d49b # see https://github.com/easybuilders/easybuild-easyblocks/pull/3523 - include-easyblocks-from-commit: 0857b9fbcab2f975408aa59623d128aa75e00d5c + include-easyblocks-from-commit: 90495ed23d26b3d5fd8162bf5d7b4c073a0682fe