update some defitions files and also include hack to indicate image type in prompt

tools/singularity/README.md

@@ -56,3 +56,4 @@ make
 | ubuntu18.04_nvidia.def         | Ubuntu 18.04LTS with Nvidia CUDA 10.2 toolkit  |
 | ubuntu18.04_intel_opencl.def   | Ubuntu 18.04LTS with Intel OpenCL runtime      |
 | ubuntu20.04.def                | Ubuntu 20.04LTS with MPI == OpenMPI            |
+| ------------------------------ | ---------------------------------------------- |

tools/singularity/centos7.def

@@ -4,7 +4,7 @@ From: centos:7
 %post
         yum -y install epel-release
         yum -y update
-        yum -y install vim-enhanced diffutils \
+        yum -y install vim-enhanced \
             ccache gcc-c++ gcc-gfortran clang gdb valgrind-openmpi \
             make cmake cmake3 ninja-build patch which file git Lmod \
             libpng-devel libjpeg-devel openmpi-devel mpich-devel python-devel python36-devel \
@@ -14,6 +14,15 @@ From: centos:7
             blas-devel lapack-devel gtest-devel libyaml-devel
         yum clean all
 
+        # set custom prompt indicating the container name
+        CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+        cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[centos7:\u@\h] \W> "
+EOF
+        chmod 755 $CUSTOM_PROMPT_ENV
+
+
 %environment
         LC_ALL=C
         export LC_ALL

tools/singularity/centos8.def

@@ -19,6 +19,15 @@ From: centos:8
                blas-devel lapack-devel gtest-devel libyaml-devel
         dnf clean all
 
+        # set custom prompt indicating the container name
+        CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+        cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[centos8:\u@\h] \W> "
+EOF
+        chmod 755 $CUSTOM_PROMPT_ENV
+
+
 %environment
         LC_ALL=C
         export LC_ALL

tools/singularity/fedora32_mingw.def

@@ -38,6 +38,14 @@ From: fedora:32
                blas-devel lapack-devel gtest-devel libyaml-devel
         dnf clean all
 
+        # set custom prompt indicating the container name
+        CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+        cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[fedora32:\u@\h] \W> "
+EOF
+        chmod 755 $CUSTOM_PROMPT_ENV
+
 %environment
         # we need to reset any module variables
         # inherited from the host.

tools/singularity/ubuntu16.04.def

@@ -17,9 +17,17 @@ From: ubuntu:16.04
         python3-setuptools python3-virtualenv \
         enchant
 
+        # set custom prompt indicating the container name
+        CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+        cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[ubuntu16.04:\u@\h] \W> "
+EOF
+        chmod 755 $CUSTOM_PROMPT_ENV
+
 %environment
         LC_ALL=C
         export LC_ALL
 
 %labels
-        Author akohlmey
+        Author akohlmey, rbberger

tools/singularity/ubuntu18.04.def

@@ -56,6 +56,7 @@ From: ubuntu:18.04
         ssh \
         texlive \
         texlive-latex-recommended \
+        texlive-formats-extra \
         texlive-pictures \
         texlive-publishers \
         texlive-science \
@@ -71,6 +72,14 @@ From: ubuntu:18.04
     # clean cache
     rm -rf /var/lib/apt/lists/*
 
+    # set custom prompt indicating the container name
+    CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+    cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[ubuntu18.04:\u@\h] \W> "
+EOF
+    chmod 755 $CUSTOM_PROMPT_ENV
+
 %environment
     LC_ALL=C
     export LC_ALL

tools/singularity/ubuntu18.04_amd_rocm.def

@@ -77,9 +77,18 @@ From: rocm/dev-ubuntu-18.04
     # clean cache
     rm -rf /var/lib/apt/lists/*
 
+    # set custom prompt indicating the container name
+    CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+    cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[ubuntu18/rocm:\u@\h] \W> "
+EOF
+    chmod 755 $CUSTOM_PROMPT_ENV
+
+
 %environment
     LC_ALL=C
     export LC_ALL
 
 %labels
-    Author rbberger
+    Author rbberger, akohlmey

tools/singularity/ubuntu18.04_amd_rocm_cuda.def

@@ -1,38 +0,0 @@
-BootStrap: library
-From: lammps/default/lammps_development:ubuntu18.04_amd_rocm
-
-%environment
-    export PATH=/usr/local/cuda-10.2/bin:${PATH}:/opt/rocm/bin:/opt/rocm/profiler/bin:/opt/rocm/opencl/bin/x86_64
-    export CUDADIR=/usr/local/cuda-10.2
-    export CUDA_PATH=/usr/local/cuda-10.2
-    export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/cuda-10.2/lib64
-    export LIBRARY_PATH=/usr/local/cuda-10.2/lib64/stubs
-
-%post
-    export DEBIAN_FRONTEND=noninteractive
-    wget https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/cuda-ubuntu1804.pin
-    mv cuda-ubuntu1804.pin /etc/apt/preferences.d/cuda-repository-pin-600
-    apt-key adv --fetch-keys https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/7fa2af80.pub
-    add-apt-repository "deb http://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/ /"
-    apt-get update
-
-    export CUDA_PKG_VERSION=10.2
-
-    apt-get install -y --no-install-recommends \
-        cuda-libraries-$CUDA_PKG_VERSION \
-        cuda-command-line-tools-$CUDA_PKG_VERSION \
-        cuda-libraries-dev-$CUDA_PKG_VERSION \
-        cuda-minimal-build-$CUDA_PKG_VERSION \
-        cuda-compat-$CUDA_PKG_VERSION \
-        libcublas10 \
-        libcublas-dev
-
-
-    echo "/usr/local/nvidia/lib" >> /etc/ld.so.conf.d/nvidia.conf
-    echo "/usr/local/nvidia/lib64" >> /etc/ld.so.conf.d/nvidia.conf
-
-    # clean cache
-    rm -rf /var/lib/apt/lists/*
-
-%labels
-    Author rbberger

tools/singularity/ubuntu18.04_gpu.def

@@ -104,9 +104,18 @@ From: rocm/dev-ubuntu-18.04
     ln -s /usr/local/cuda-10.2 /usr/local/cuda
     ln -s /usr/local/cuda-10.2/lib64/stubs/libcuda.so /usr/local/cuda-10.2/lib64/stubs/libcuda.so.1
 
+    # set custom prompt indicating the container name
+    CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+    cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[ubuntu18/gpu:\u@\h] \W> "
+EOF
+    chmod 755 $CUSTOM_PROMPT_ENV
+
+
 %environment
     LC_ALL=C
     export LC_ALL
 
 %labels
-    Author rbberger
+    Author rbberger, akohlmey

tools/singularity/ubuntu18.04_intel_opencl.def

@@ -70,9 +70,18 @@ From: ubuntu:18.04
     # clean cache
     rm -rf /var/lib/apt/lists/*
 
+    # set custom prompt indicating the container name
+    CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+    cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[ubuntu18/intel:\u@\h] \W> "
+EOF
+    chmod 755 $CUSTOM_PROMPT_ENV
+
+
 %environment
         LC_ALL=C
         export LC_ALL
 
 %labels
-    Author rbberger
+    Author rbberger, akohlmey

tools/singularity/ubuntu18.04_nvidia.def

@@ -69,9 +69,18 @@ From: nvidia/cuda:10.2-devel-ubuntu18.04
     # clean cache
     rm -rf /var/lib/apt/lists/*
 
+    # set custom prompt indicating the container name
+    CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+    cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[ubuntu18/nvidia:\u@\h] \W> "
+EOF
+    chmod 755 $CUSTOM_PROMPT_ENV
+
+
 %environment
         LC_ALL=C
         export LC_ALL
 
 %labels
-    Author rbberger
+    Author rbberger, akohlmey

tools/singularity/ubuntu20.04.def

@@ -52,6 +52,7 @@ From: ubuntu:20.04
         ssh \
         texlive \
         texlive-latex-recommended \
+        texlive-formats-extra \
         texlive-pictures \
         texlive-publishers \
         texlive-science \
@@ -67,6 +68,15 @@ From: ubuntu:20.04
     # clean cache
     rm -rf /var/lib/apt/lists/*
 
+    # set custom prompt indicating the container name
+    CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
+    cat >$CUSTOM_PROMPT_ENV <<EOF
+#!/bin/bash
+PS1="[ubuntu20.04:\u@\h] \W> "
+EOF
+    chmod 755 $CUSTOM_PROMPT_ENV
+
+
 %environment
     LC_ALL=C
     export LC_ALL