From 7ff7fdcd321d37cecde0873ddb125e1889240898 Mon Sep 17 00:00:00 2001 From: Achim Gsell Date: Wed, 17 Nov 2021 15:51:20 +0100 Subject: [PATCH] gromacs: deprecate versions with openmpi prior to 3.1.6 --- MPI/gromacs/2018/variants | 4 ++-- MPI/gromacs/2019/variants | 3 ++- MPI/gromacs/2020/variants | 8 ++++---- 3 files changed, 8 insertions(+), 7 deletions(-) diff --git a/MPI/gromacs/2018/variants b/MPI/gromacs/2018/variants index f2bec74..bb59a1d 100644 --- a/MPI/gromacs/2018/variants +++ b/MPI/gromacs/2018/variants @@ -1,2 +1,2 @@ -gromacs/2018.3_sp unstable gcc/8.2.0 openmpi/3.1.1 Python/2.7.14 b:cmake/3.9.6 -gromacs/2018.3_dp unstable gcc/8.2.0 openmpi/3.1.1 Python/2.7.14 b:cmake/3.9.6 +gromacs/2018.3_sp deprecated gcc/8.2.0 openmpi/3.1.1 Python/2.7.14 b:cmake/3.9.6 +gromacs/2018.3_dp deprecated gcc/8.2.0 openmpi/3.1.1 Python/2.7.14 b:cmake/3.9.6 diff --git a/MPI/gromacs/2019/variants b/MPI/gromacs/2019/variants index 4bea2cc..fcf78bc 100644 --- a/MPI/gromacs/2019/variants +++ b/MPI/gromacs/2019/variants @@ -1 +1,2 @@ -gromacs/2019.3_sp stable gcc/7.4.0 openmpi/3.1.4_merlin6 cuda/10.0.130 Python/2.7.16 b:cmake/3.14.0 +gromacs/2019.3_sp deprecated gcc/7.4.0 openmpi/3.1.4_merlin6 cuda/10.0.130 Python/2.7.16 b:cmake/3.14.0 +gromacs/2019.5_sp deprecated gcc/7.4.0 openmpi/3.1.5_merlin6 diff --git a/MPI/gromacs/2020/variants b/MPI/gromacs/2020/variants index c3a127e..0add04d 100644 --- a/MPI/gromacs/2020/variants +++ b/MPI/gromacs/2020/variants @@ -1,4 +1,4 @@ -gromacs/2020_sp unstable gcc/7.4.0 openmpi/3.1.5_merlin6 cuda/10.0.130 Python/3.7.4 b:cmake/3.14.0 -gromacs/2020.2_sp unstable gcc/7.5.0 openmpi/3.1.6_slurm cuda/10.0.130 Python/3.7.4 b:cmake/3.15.5 -gromacs/2020.2_sp_gpu unstable gcc/7.5.0 openmpi/4.0.4_slurm cuda/10.0.130 Python/3.7.4 b:cmake/3.15.5 -gromacs/2020.4_sp_gpu unstable gcc/9.3.0 openmpi/4.0.5_slurm cuda/11.1.0 Python/3.7.4 b:cmake/3.19.2 +gromacs/2020_sp deprecated gcc/7.4.0 openmpi/3.1.5_merlin6 cuda/10.0.130 Python/3.7.4 b:cmake/3.14.0 +gromacs/2020.2_sp unstable gcc/7.5.0 openmpi/3.1.6_slurm cuda/10.0.130 Python/3.7.4 b:cmake/3.15.5 +gromacs/2020.2_sp_gpu unstable gcc/7.5.0 openmpi/4.0.4_slurm cuda/10.0.130 Python/3.7.4 b:cmake/3.15.5 +gromacs/2020.4_sp_gpu unstable gcc/9.3.0 openmpi/4.0.5_slurm cuda/11.1.0 Python/3.7.4 b:cmake/3.19.2