From 7fc306563a44085bfaa2829ea5cf923824e8f453 Mon Sep 17 00:00:00 2001 From: Caspar van Leeuwen Date: Thu, 28 Aug 2025 17:02:22 +0200 Subject: [PATCH 1/4] Rebuild ESPResSo for CUDA sanity check --- ...28-eb-5.1.1-rebuild-ESPResSo-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-ESPResSo-for-cuda-sanity-check.yml diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml new file mode 100644 index 0000000000..9df44e4521 --- /dev/null +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-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: + - ESPResSo-4.2.2-foss-2023a-CUDA-12.1.1.eb From 4a691f86ccdfad6e6835abd9e7a1844f8d937abf Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Fri, 5 Sep 2025 11:11:23 +0200 Subject: [PATCH 2/4] Update easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml --- ...0828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml index 9df44e4521..867627b9d1 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml @@ -5,4 +5,8 @@ # 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: - - ESPResSo-4.2.2-foss-2023a-CUDA-12.1.1.eb + - ESPResSo-4.2.2-foss-2023a-CUDA-12.1.1.eb: + options: + # need an additional patch to build for the right CUDA architecture, + # see https://github.com/easybuilders/easybuild-easyconfigs/pull/23795 + from-commit: d70176fdac5f611b5df02798a9651e13ba61c32a From 0eff8b823a553b7fd67ef2cae640dcc0b7b0f693 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Fri, 5 Sep 2025 11:52:29 +0200 Subject: [PATCH 3/4] use newer commit where Cython version is bumped --- ...20250828-eb-5.1.1-rebuild-ESPResSo-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-ESPResSo-for-cuda-sanity-check.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml index 867627b9d1..eb4ad985dd 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml @@ -9,4 +9,4 @@ easyconfigs: options: # need an additional patch to build for the right CUDA architecture, # see https://github.com/easybuilders/easybuild-easyconfigs/pull/23795 - from-commit: d70176fdac5f611b5df02798a9651e13ba61c32a + from-commit: 7dea219f1e24746528331b8bd5ab2b99ab2cc6d2 From 5e14e0fd9e8cdda7e291d4551913480a7dbf4c4e Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Fri, 5 Sep 2025 13:11:16 +0200 Subject: [PATCH 4/4] use newer commit where `DESPRESSO_CUDA_ARCHITECTURES` is set --- ...20250828-eb-5.1.1-rebuild-ESPResSo-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-ESPResSo-for-cuda-sanity-check.yml b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml index eb4ad985dd..9ace4a71c0 100644 --- a/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml +++ b/easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-ESPResSo-for-cuda-sanity-check.yml @@ -9,4 +9,4 @@ easyconfigs: options: # need an additional patch to build for the right CUDA architecture, # see https://github.com/easybuilders/easybuild-easyconfigs/pull/23795 - from-commit: 7dea219f1e24746528331b8bd5ab2b99ab2cc6d2 + from-commit: f3940e57527848706505b846ac4f2fce86fd5def