From b5b780c4ff3d3b68b6c1aeaee8d16f8a0ff55f13 Mon Sep 17 00:00:00 2001 From: lara Date: Wed, 28 Jun 2023 09:54:33 +0200 Subject: [PATCH 1/3] {2023.06}[foss/2021a] GROMACS v2021.3 --- eessi-2023.06-eb-4.7.2-2021a.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/eessi-2023.06-eb-4.7.2-2021a.yml b/eessi-2023.06-eb-4.7.2-2021a.yml index 461c22b7ed..223bfad6c4 100644 --- a/eessi-2023.06-eb-4.7.2-2021a.yml +++ b/eessi-2023.06-eb-4.7.2-2021a.yml @@ -7,3 +7,4 @@ easyconfigs: - libpng-1.6.37-GCCcore-10.3.0.eb: - libjpeg-turbo-2.0.6-GCCcore-10.3.0.eb - QuantumESPRESSO-6.7-foss-2021a.eb + - GROMACS-2021.3-foss-2021a.eb From 7f27f248bdc4df693e07b9ec71aea878cf8ce748 Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Wed, 28 Jun 2023 13:08:53 +0200 Subject: [PATCH 2/3] Update eessi-2023.06-eb-4.7.2-2021b.yml --- eessi-2023.06-eb-4.7.2-2021b.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/eessi-2023.06-eb-4.7.2-2021b.yml b/eessi-2023.06-eb-4.7.2-2021b.yml index 5e13dd68e2..d6f22b87d0 100644 --- a/eessi-2023.06-eb-4.7.2-2021b.yml +++ b/eessi-2023.06-eb-4.7.2-2021b.yml @@ -7,4 +7,4 @@ easyconfigs: options: include-easyblocks-from-pr: 2248 - zlib-1.2.11-GCCcore-11.2.0 - - OpenMI-4.1.1-GCC-11.2.0 + From 71122ecfbef0a5295846879eff382b3ea080a15a Mon Sep 17 00:00:00 2001 From: Lara Ramona Peeters <49882639+laraPPr@users.noreply.github.com> Date: Wed, 28 Jun 2023 13:09:27 +0200 Subject: [PATCH 3/3] Update eessi-2023.06-eb-4.7.2-2021b.yml --- eessi-2023.06-eb-4.7.2-2021b.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/eessi-2023.06-eb-4.7.2-2021b.yml b/eessi-2023.06-eb-4.7.2-2021b.yml index d6f22b87d0..9f06908f0d 100644 --- a/eessi-2023.06-eb-4.7.2-2021b.yml +++ b/eessi-2023.06-eb-4.7.2-2021b.yml @@ -7,4 +7,3 @@ easyconfigs: options: include-easyblocks-from-pr: 2248 - zlib-1.2.11-GCCcore-11.2.0 -