From 72b9032981a53491a3c80769eafff773bc646419 Mon Sep 17 00:00:00 2001 From: Thomas Roeblitz Date: Wed, 15 May 2024 20:25:04 +0200 Subject: [PATCH] add rebuild for GROMACS and additional build dep --- ...b-4.9.1-GROMACS-correct-gmxapi-version.yml | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) create mode 100644 easystacks/pilot.nessi.no/2023.06/rebuilds/20240515-eb-4.9.1-GROMACS-correct-gmxapi-version.yml diff --git a/easystacks/pilot.nessi.no/2023.06/rebuilds/20240515-eb-4.9.1-GROMACS-correct-gmxapi-version.yml b/easystacks/pilot.nessi.no/2023.06/rebuilds/20240515-eb-4.9.1-GROMACS-correct-gmxapi-version.yml new file mode 100644 index 0000000000..0a51c9ab92 --- /dev/null +++ b/easystacks/pilot.nessi.no/2023.06/rebuilds/20240515-eb-4.9.1-GROMACS-correct-gmxapi-version.yml @@ -0,0 +1,19 @@ +# 2024.05.15 +# Originally shipped version forgot to bump the gmxapi version and source +# tarball, it was still using an older version from the 2023.3 tarball. Looking +# at https://gitlab.com/gromacs/gromacs/-/blob/v2024.1/python_packaging/gmxapi/src/gmxapi/version.py?ref_type=tags#L68, +# the 2024.1 release includes gmxapi 0.5.0. +# +# This also introduced a new build dependency on scikit-build-core for GROMACS +# +easyconfigs: + - scikit-build-core-0.9.3-GCCcore-13.2.0.eb: + options: + # from-commit: 61d07bff09afe63cfe1ae35dc58a0c8be01eed62 + # see https://github.com/easybuilders/easybuild-easyconfigs/pull/20526 + from-pr: 20526 + - GROMACS-2024.1-foss-2023b.eb: + options: + # from-commit: a0a467a88506c765a93a96b20d7a8fcb01d46b24 + # see https://github.com/easybuilders/easybuild-easyconfigs/pull/20522 + from-pr: 20522