From b7a3af7bd124f0e59c12034761b829ba74edef53 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 21 Apr 2022 11:54:27 -0400 Subject: [PATCH] update plumed version in containers and install python3-venv --- tools/singularity/ubuntu16.04.def | 2 +- tools/singularity/ubuntu18.04.def | 2 +- tools/singularity/ubuntu18.04_amd_rocm.def | 2 +- tools/singularity/ubuntu18.04_gpu.def | 2 +- tools/singularity/ubuntu18.04_intel_opencl.def | 2 +- tools/singularity/ubuntu18.04_nvidia.def | 2 +- tools/singularity/ubuntu20.04.def | 3 ++- tools/singularity/ubuntu20.04_amd_rocm.def | 3 ++- tools/singularity/ubuntu20.04_gpu.def | 3 ++- tools/singularity/ubuntu20.04_intel_opencl.def | 3 ++- tools/singularity/ubuntu20.04_nvidia.def | 3 ++- tools/singularity/ubuntu20.04_oneapi.def | 3 ++- 12 files changed, 18 insertions(+), 12 deletions(-) diff --git a/tools/singularity/ubuntu16.04.def b/tools/singularity/ubuntu16.04.def index 35e4e26138..f22826cabd 100644 --- a/tools/singularity/ubuntu16.04.def +++ b/tools/singularity/ubuntu16.04.def @@ -14,7 +14,7 @@ From: ubuntu:16.04 libfftw3-dev libjpeg-dev libpng12-dev libblas-dev liblapack-dev \ python-dev libeigen3-dev libgsl-dev libopenblas-dev libreadline-dev \ virtualenv python3-dev python3-pip python3-pkg-resources \ - python3-setuptools python3-virtualenv \ + python3-setuptools python3-virtualenv python3-venv \ enchant # create missing readline pkgconfig file diff --git a/tools/singularity/ubuntu18.04.def b/tools/singularity/ubuntu18.04.def index ebea335d6b..456d3add56 100644 --- a/tools/singularity/ubuntu18.04.def +++ b/tools/singularity/ubuntu18.04.def @@ -107,7 +107,7 @@ From: ubuntu:18.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu18.04_amd_rocm.def b/tools/singularity/ubuntu18.04_amd_rocm.def index f1d327052d..e2a9adc9d9 100644 --- a/tools/singularity/ubuntu18.04_amd_rocm.def +++ b/tools/singularity/ubuntu18.04_amd_rocm.def @@ -137,7 +137,7 @@ From: ubuntu:18.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu18.04_gpu.def b/tools/singularity/ubuntu18.04_gpu.def index 452a3eaee8..6aa37ccf84 100644 --- a/tools/singularity/ubuntu18.04_gpu.def +++ b/tools/singularity/ubuntu18.04_gpu.def @@ -174,7 +174,7 @@ From: ubuntu:18.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu18.04_intel_opencl.def b/tools/singularity/ubuntu18.04_intel_opencl.def index fd7363dbae..1f7c136fac 100644 --- a/tools/singularity/ubuntu18.04_intel_opencl.def +++ b/tools/singularity/ubuntu18.04_intel_opencl.def @@ -108,7 +108,7 @@ From: ubuntu:18.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu18.04_nvidia.def b/tools/singularity/ubuntu18.04_nvidia.def index f834e1a91e..70f41708de 100644 --- a/tools/singularity/ubuntu18.04_nvidia.def +++ b/tools/singularity/ubuntu18.04_nvidia.def @@ -107,7 +107,7 @@ From: nvidia/cuda:11.4.2-devel-ubuntu18.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu20.04.def b/tools/singularity/ubuntu20.04.def index 53690fd1b9..5665546eda 100644 --- a/tools/singularity/ubuntu20.04.def +++ b/tools/singularity/ubuntu20.04.def @@ -52,6 +52,7 @@ From: ubuntu:20.04 python3-pkg-resources \ python3-setuptools \ python3-virtualenv \ + python3-venv \ rsync \ ssh \ texlive \ @@ -101,7 +102,7 @@ From: ubuntu:20.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu20.04_amd_rocm.def b/tools/singularity/ubuntu20.04_amd_rocm.def index e52ff02798..21f1ecc77b 100644 --- a/tools/singularity/ubuntu20.04_amd_rocm.def +++ b/tools/singularity/ubuntu20.04_amd_rocm.def @@ -82,6 +82,7 @@ From: ubuntu:20.04 python3-pkg-resources \ python3-setuptools \ python3-virtualenv \ + python3-venv \ rsync \ ssh \ vim-nox \ @@ -122,7 +123,7 @@ From: ubuntu:20.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu20.04_gpu.def b/tools/singularity/ubuntu20.04_gpu.def index abb43f46df..23bddeb14f 100644 --- a/tools/singularity/ubuntu20.04_gpu.def +++ b/tools/singularity/ubuntu20.04_gpu.def @@ -87,6 +87,7 @@ From: ubuntu:20.04 python3-pkg-resources \ python3-setuptools \ python3-virtualenv \ + python3-venv \ rsync \ ssh \ vim-nox \ @@ -160,7 +161,7 @@ From: ubuntu:20.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu20.04_intel_opencl.def b/tools/singularity/ubuntu20.04_intel_opencl.def index 0e3cae67d7..c02d2cd3a4 100644 --- a/tools/singularity/ubuntu20.04_intel_opencl.def +++ b/tools/singularity/ubuntu20.04_intel_opencl.def @@ -52,6 +52,7 @@ From: ubuntu:20.04 python3-pkg-resources \ python3-setuptools \ python3-virtualenv \ + python3-venv \ rsync \ ssh \ vim-nox \ @@ -100,7 +101,7 @@ From: ubuntu:20.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu20.04_nvidia.def b/tools/singularity/ubuntu20.04_nvidia.def index 274efecadc..e0995301f4 100644 --- a/tools/singularity/ubuntu20.04_nvidia.def +++ b/tools/singularity/ubuntu20.04_nvidia.def @@ -55,6 +55,7 @@ From: nvidia/cuda:11.4.2-devel-ubuntu20.04 python3-pkg-resources \ python3-setuptools \ python3-virtualenv \ + python3-venv \ rsync \ ssh \ vim-nox \ @@ -102,7 +103,7 @@ From: nvidia/cuda:11.4.2-devel-ubuntu20.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed diff --git a/tools/singularity/ubuntu20.04_oneapi.def b/tools/singularity/ubuntu20.04_oneapi.def index e5077fe184..a5d59efbc5 100644 --- a/tools/singularity/ubuntu20.04_oneapi.def +++ b/tools/singularity/ubuntu20.04_oneapi.def @@ -51,6 +51,7 @@ From: ubuntu:20.04 python3-pkg-resources \ python3-setuptools \ python3-virtualenv \ + python3-venv \ rsync \ ssh \ texlive \ @@ -139,7 +140,7 @@ From: ubuntu:20.04 # Plumed ########################################################################### - export PLUMED_PKG_VERSION=2.7.3 + export PLUMED_PKG_VERSION=2.7.4 mkdir plumed cd plumed