From 72ad55334af10434eeca5423a343dae55744a93f Mon Sep 17 00:00:00 2001 From: Richard Top Date: Wed, 11 Oct 2023 12:19:40 +0000 Subject: [PATCH 1/2] {2023.06}[gompi/2022a] OpenBabel V3.1.1 --- eessi-2023.06-eb-4.8.1-2022a.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/eessi-2023.06-eb-4.8.1-2022a.yml b/eessi-2023.06-eb-4.8.1-2022a.yml index 001207e8a6..021618c3ca 100644 --- a/eessi-2023.06-eb-4.8.1-2022a.yml +++ b/eessi-2023.06-eb-4.8.1-2022a.yml @@ -51,3 +51,4 @@ easyconfigs: - Tk-8.6.12-GCCcore-11.3.0.eb - GROMACS-2023.1-foss-2022a.eb - MUMPS-5.5.1-foss-2022a-metis.eb + - OpenBabel-3.1.1-gompi-2022a.eb From 4b13bdae52af71a228a871f2ec5ff306afebc627 Mon Sep 17 00:00:00 2001 From: TopRichard <121792457+TopRichard@users.noreply.github.com> Date: Wed, 10 Jan 2024 21:39:37 +0100 Subject: [PATCH 2/2] Update test_eessi.yml Added the eessi-2023.06-eb-4.8.2-2022a.yml to test within workflows. --- .github/workflows/test_eessi.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/test_eessi.yml b/.github/workflows/test_eessi.yml index 24c036e342..fee95f6b79 100644 --- a/.github/workflows/test_eessi.yml +++ b/.github/workflows/test_eessi.yml @@ -27,6 +27,7 @@ jobs: - eessi-2023.06-eb-4.8.0-system.yml - eessi-2023.06-eb-4.8.1-2022a.yml - eessi-2023.06-eb-4.8.1-system.yml + - eessi-2023.06-eb-4.8.2-2022a.yml steps: - name: Check out software-layer repository uses: actions/checkout@93ea575cb5d8a053eaa0ac8fa3b40d7e05a33cc8 # v3.1.0