diff --git a/definition-files/beast/Singularity.beast-1.10.4 b/definition-files/beast/Singularity.beast-1.10.4
new file mode 100644
index 0000000000000000000000000000000000000000..f86c633d27a709d9e7b6a76e604cebfe519f5acc
--- /dev/null
+++ b/definition-files/beast/Singularity.beast-1.10.4
@@ -0,0 +1,130 @@
+Bootstrap: shub
+From: mkandes/ubuntu-cuda:latest
+
+%labels
+
+ APPLICATION_NAME beast
+ APPLICATION_VERSION 1.10.4
+ APPLICATION_URL https://beast.community
+
+ SINGULARITY_VERSION 2.6.1
+ SINGULARITY_IMAGE_SIZE 16384
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200413
+
+%setup
+
+%environment
+
+ # Set LD_LIBRARY_PATH to beagle
+ export LD_LIBRARY_PATH="/opt/beagle/lib:${LD_LIBRARY_PATH}"
+
+ # Set PATH to beast
+ export PATH="/opt/beast/bin:${PATH}"
+
+ # Set PATH to tracer
+ export PATH="/opt/tracer/bin:${PATH}"
+
+ # Set PATH to figtree
+ export PATH="/opt/figtree/bin:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set path to miniconda
+ export PATH="/opt/miniconda3/bin:${PATH}"
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_HOME='/usr/local/cuda-10.1'
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+ # Upgrade all packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install beast dependencies
+ apt-get -y install default-jdk
+ apt-get -y install default-jdk-doc
+ apt-get -y install ant
+
+ cd /tmp
+
+ # Download, build, and install beagle library
+ git clone https://github.com/beagle-dev/beagle-lib.git
+ cd /tmp/beagle-lib
+ git checkout v3.1.2
+ ./autogen.sh
+ ./configure --prefix=/opt/beagle
+ make install
+ export LD_LIBRARY_PATH="/opt/beagle/lib:${LD_LIBRARY_PATH}"
+ make check
+
+ cd /tmp
+
+ # Download, build, and install beast
+ git clone https://github.com/beast-dev/beast-mcmc.git
+ cd /tmp/beast-mcmc
+ git checkout v1.10.4
+ export JAVA_TOOL_OPTIONS=-Dfile.encoding=UTF8
+ ant linux
+ mv /tmp/beast-mcmc/release/Linux/BEASTv1.10.4 /opt/beast
+ cd /opt/beast/bin
+ sed -i 's/-Xms64m -Xmx2048m/-Xms256m -Xmx10000m/' beast
+
+ # Set PATH to beast
+ export PATH="/opt/beast/bin:${PATH}"
+
+ cd /tmp
+
+ # Download, build, and install tracer
+ git clone https://github.com/beast-dev/tracer.git
+ cd /tmp/tracer
+ git checkout v1.7.1
+ ant linux
+ mv /tmp/tracer/release/Linux/Tracer_v1.7.1 /opt/tracer
+
+ # Set PATH to tracer
+ export PATH="/opt/tracer/bin:${PATH}"
+
+ cd /tmp
+
+ # Download, build, and install figtree
+ git clone https://github.com/rambaut/figtree.git
+ cd /tmp/figtree
+ git checkout v1.4.4
+ sed -i 's/linux_unix_Release/linux/g' build.xml
+ ant linux
+ mv /tmp/figtree/release/Linux/FigTree_v1.4.4 /opt/figtree
+ cd /opt/figtree/bin
+ sed -i "s/lib/\/opt\/figtree\/lib/g" figtree
+ chmod +x figtree
+
+ # Set PATH to figtree
+ export PATH="/opt/figtree/bin:${PATH}"
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/beast/Singularity.beast-2.6.1 b/definition-files/beast/Singularity.beast-2.6.1
new file mode 100644
index 0000000000000000000000000000000000000000..3a44af0a4a1f4bae8890a51e23f957fd39b3429f
--- /dev/null
+++ b/definition-files/beast/Singularity.beast-2.6.1
@@ -0,0 +1,127 @@
+Bootstrap: shub
+From: mkandes/ubuntu-cuda:latest
+
+%labels
+
+ APPLICATION_NAME beast2
+ APPLICATION_VERSION 2.6.1
+ APPLICATION_URL https://www.beast2.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200520
+
+%setup
+
+%environment
+
+ # Set LD_LIBRARY_PATH to beagle
+ export LD_LIBRARY_PATH="/opt/beagle/lib:${LD_LIBRARY_PATH}"
+
+ # Set PATH to beast2
+ export PATH="/opt/beast2/bin:${PATH}"
+
+ # Set PATH to tracer
+ export PATH="/opt/tracer/bin:${PATH}"
+
+ # Set PATH to figtree
+ export PATH="/opt/figtree/bin:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set path to miniconda
+ export PATH="/opt/miniconda3/bin:${PATH}"
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_HOME='/usr/local/cuda-10.1'
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+ # Upgrade all packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install beast dependencies
+ apt-get -y install default-jdk
+ apt-get -y install default-jdk-doc
+ apt-get -y install ant
+
+ cd /tmp
+
+ # Download, build, and install beagle library
+ git clone https://github.com/beagle-dev/beagle-lib.git
+ cd /tmp/beagle-lib
+ git checkout v3.1.2
+ ./autogen.sh
+ ./configure --prefix=/opt/beagle
+ make install
+ export LD_LIBRARY_PATH="/opt/beagle/lib:${LD_LIBRARY_PATH}"
+ make check
+
+ cd /tmp
+
+ # Download, build, and install beast2
+ git clone https://github.com/CompEvol/beast2.git
+ cd /tmp/beast2
+ git checkout v2.6.1
+ export JAVA_TOOL_OPTIONS=-Dfile.encoding=UTF8
+ ant linux
+ mv /tmp/beast2/release/Linux/beast /opt/beast2
+ cd /opt/beast2/bin
+ sed -i 's/-Xms256m -Xmx8g/-Xms256m -Xmx15g/' beast
+
+ # Set PATH to beast
+ export PATH="/opt/beast2/bin:${PATH}"
+
+ cd /tmp
+
+ # Download, build, and install tracer
+ git clone https://github.com/beast-dev/tracer.git
+ cd /tmp/tracer
+ git checkout v1.7.1
+ ant linux
+ mv /tmp/tracer/release/Linux/Tracer_v1.7.1 /opt/tracer
+
+ # Set PATH to tracer
+ export PATH="/opt/tracer/bin:${PATH}"
+
+ cd /tmp
+
+ # Download, build, and install figtree
+ git clone https://github.com/rambaut/figtree.git
+ cd /tmp/figtree
+ git checkout v1.4.4
+ sed -i 's/linux_unix_Release/linux/g' build.xml
+ ant linux
+ mv /tmp/figtree/release/Linux/FigTree_v1.4.4 /opt/figtree
+ cd /opt/figtree/bin
+ sed -i "s/lib/\/opt\/figtree\/lib/g" figtree
+ chmod +x figtree
+
+ # Set PATH to figtree
+ export PATH="/opt/figtree/bin:${PATH}"
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/centos/Singularity.centos-7.8.2003 b/definition-files/centos/Singularity.centos-7.8.2003
new file mode 100644
index 0000000000000000000000000000000000000000..bc72f62413dc57bc3a75c9c92a73ec4c352c47c5
--- /dev/null
+++ b/definition-files/centos/Singularity.centos-7.8.2003
@@ -0,0 +1,77 @@
+Bootstrap: yum
+OSVersion: 7
+MirrorURL: http://mirror.centos.org/centos-7/7.8.2003/os/x86_64
+Include: yum
+
+%labels
+
+ APPLICATION_NAME centos
+ APPLICATION_VERSION 7.8.2003
+ APPLICATION_URL https://www.centos.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200711
+
+%setup
+
+%environment
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://mirror.centos.org/centos-7/7.8.2003/os/x86_64'
+
+ # Set operating system version
+ export OSVERSION='7'
+
+ # Set system locale
+ export LC_ALL=C
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://mirror.centos.org/centos-7/7/os/x86_64'
+
+ # Set operating system version
+ export OSVERSION='7'
+
+ # Set system locale
+ export LC_ALL=C
+
+ # Add software repositories
+ yum -y install epel-release
+
+ # Install system software metapackages
+ yum -y groupinstall "Development Tools"
+ yum -y groupinstall "Additional Development"
+ yum -y groupinstall "Compatibility Libraries"
+
+ # Update all software packages to their latest versions
+ yum -y check-update && yum -y update
+
+ # Install common software packages
+ yum -y install bc
+ yum -y install cmake
+ yum -y install curl
+ yum -y install expect
+ yum -y install mlocate
+ yum -y install python3
+ yum -y install rsync
+ yum -y install time
+ yum -y install vim-minimal
+ yum -y install wget
+ yum -y install which
+ yum -y install yum-utils
+
+ # Cleanup
+ package-cleanup -q --leaves | xargs -l1 yum -y remove
+ yum -y clean all
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/centos/Singularity.centos-7.8.2003-cuda-10.1.168 b/definition-files/centos/Singularity.centos-7.8.2003-cuda-10.1.168
new file mode 100644
index 0000000000000000000000000000000000000000..f55b327b705844c297e3b4a2c84f25f258928bee
--- /dev/null
+++ b/definition-files/centos/Singularity.centos-7.8.2003-cuda-10.1.168
@@ -0,0 +1,468 @@
+Bootstrap: shub
+From: mkandes/centos:centos-7.8.2003
+
+%labels
+
+ APPLICATION_NAME centos + cuda
+ APPLICATION_VERSION 7.8.2003 + 10.1.168
+ APPLICATION_URL https://developer.nvidia.com/cuda-zone
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20201016
+
+%setup
+
+%environment
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_HOME='/usr/local/cuda-10.1'
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://mirror.centos.org/centos-7/7/os/x86_64'
+
+ # Set operating system version
+ export OSVERSION='7'
+
+ # Set system locale
+ export LC_ALL=C
+
+ # Update all software packages to their latest versions
+ yum -y check-update && yum -y update
+
+ # Location of NVIDIA repositories
+ export NVIDIA_ROOT_URL='http://developer.download.nvidia.com/compute'
+ export CUDA_REPO_URL="${NVIDIA_ROOT_URL}/cuda/repos/rhel7/x86_64"
+ export ML_REPO_URL="${NVIDIA_ROOT_URL}/machine-learning/repos/rhel7/x86_64"
+
+ # Install NVIDIA package dependencies
+ yum -y install xorg-x11-server-Xorg
+ yum -y install xorg-x11-server-common
+ yum -y install xorg-x11-apps
+ yum -y install xorg-x11-utils
+ yum -y install xorg-x11-xauth
+ yum -y install xorg-x11-xkb-utils
+ yum -y install cmake
+ yum -y install make
+ yum -y install dkms
+ yum -y install kernel-headers
+ yum -y install glibc-devel
+ yum -y install glibc-headers
+ yum -y install glibc-utils
+ yum -y install libwayland-client
+ yum -y install libwayland-server
+ yum -y install pkgconfig
+ yum -y install libvdpau
+ yum -y install libva-vdpau-driver
+ yum -y install atk
+ yum -y install atk-devel
+ yum -y install cairo
+ yum -y install cairo-devel
+ yum -y install cairo-gobject
+ yum -y install cairo-gobject-devel
+ yum -y install cairo-tools
+ yum -y install fontconfig
+ yum -y install fontconfig-devel
+ yum -y install gdk-pixbuf2
+ yum -y install gdk-pixbuf2-devel
+ yum -y install gtk3
+ yum -y install gtk3-devel
+ yum -y install gtk2
+ yum -y install gtk2-devel
+ yum -y install jansson
+ yum -y install freeglut
+ yum -y install freeglut-devel
+ yum -y install libX11
+ yum -y install libX11-devel
+ yum -y install libX11-common
+ yum -y install libXmu
+ yum -y install libXmu-devel
+ yum -y install libXi
+ yum -y install libXi-devel
+ yum -y install mesa-libGLU
+ yum -y install mesa-libGLU-devel
+ yum -y install java-latest-openjdk
+ yum -y install java-latest-openjdk-devel
+
+ yum -y install grubby
+ yum -y install libtirpc
+ yum -y install ocl-icd
+ yum -y install opencl-filesystem
+ yum -y install vulkan-filesystem
+
+ cd /tmp
+
+ # Download and install NVIDIA/CUDA drivers, libraries, and packages
+ wget -N --wait=10 "https://developer.nvidia.com/compute/cuda/10.1/Prod/local_installers/cuda-repo-rhel7-10-1-local-10.1.168-418.67-1.0-1.x86_64.rpm"
+ rpm -i cuda-repo-rhel7-10-1-local-10.1.168-418.67-1.0-1.x86_64.rpm
+ rm cuda-repo-rhel7-10-1-local-10.1.168-418.67-1.0-1.x86_64.rpm
+
+ yum clean all
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-driver-cuda-libs-418.67-4.el7.x86_64.rpm"
+ rpm -i nvidia-driver-cuda-libs-418.67-4.el7.x86_64.rpm
+ rm nvidia-driver-cuda-libs-418.67-4.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-driver-libs-418.67-4.el7.x86_64.rpm"
+ rpm -i nvidia-driver-libs-418.67-4.el7.x86_64.rpm
+ rm nvidia-driver-libs-418.67-4.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/dkms-nvidia-418.67-1.el7.x86_64.rpm"
+ rpm -i dkms-nvidia-418.67-1.el7.x86_64.rpm
+ yum -y install dkms-nvidia
+ rm dkms-nvidia-418.67-1.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-driver-418.67-4.el7.x86_64.rpm"
+ rpm -i nvidia-driver-418.67-4.el7.x86_64.rpm
+ yum -y install nvidia-driver
+ rm nvidia-driver-418.67-4.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-driver-devel-418.67-4.el7.x86_64.rpm"
+ rpm -i nvidia-driver-devel-418.67-4.el7.x86_64.rpm
+ rm nvidia-driver-devel-418.67-4.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-persistenced-418.67-1.el7.x86_64.rpm"
+ rpm -i nvidia-persistenced-418.67-1.el7.x86_64.rpm
+ rm nvidia-persistenced-418.67-1.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-driver-cuda-418.67-4.el7.x86_64.rpm"
+ rpm -i nvidia-driver-cuda-418.67-4.el7.x86_64.rpm
+ rm nvidia-driver-cuda-418.67-4.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-driver-diagnostic-418.67-4.el7.x86_64.rpm"
+ rpm -i nvidia-driver-diagnostic-418.67-4.el7.x86_64.rpm
+ rm nvidia-driver-diagnostic-418.67-4.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-driver-NVML-418.67-4.el7.x86_64.rpm"
+ rpm -i nvidia-driver-NVML-418.67-4.el7.x86_64.rpm
+ rm nvidia-driver-NVML-418.67-4.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-driver-NvFBCOpenGL-418.67-4.el7.x86_64.rpm"
+ rpm -i nvidia-driver-NvFBCOpenGL-418.67-4.el7.x86_64.rpm
+ rm nvidia-driver-NvFBCOpenGL-418.67-4.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-libXNVCtrl-418.67-1.el7.x86_64.rpm"
+ rpm -i nvidia-libXNVCtrl-418.67-1.el7.x86_64.rpm
+ rm nvidia-libXNVCtrl-418.67-1.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-libXNVCtrl-devel-418.67-1.el7.x86_64.rpm"
+ rpm -i nvidia-libXNVCtrl-devel-418.67-1.el7.x86_64.rpm
+ rm nvidia-libXNVCtrl-devel-418.67-1.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-modprobe-418.67-1.el7.x86_64.rpm"
+ rpm -i nvidia-modprobe-418.67-1.el7.x86_64.rpm
+ rm nvidia-modprobe-418.67-1.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-settings-418.67-1.el7.x86_64.rpm"
+ rpm -i nvidia-settings-418.67-1.el7.x86_64.rpm
+ rm nvidia-settings-418.67-1.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-xconfig-418.67-1.el7.x86_64.rpm"
+ rpm -i nvidia-xconfig-418.67-1.el7.x86_64.rpm
+ rm nvidia-xconfig-418.67-1.el7.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-compat-10-1-418.67-1.x86_64.rpm"
+ rpm -i cuda-compat-10-1-418.67-1.x86_64.rpm
+ rm cuda-compat-10-1-418.67-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-license-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-license-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-license-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-misc-headers-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-misc-headers-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-misc-headers-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvcc-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvcc-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvcc-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cuobjdump-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cuobjdump-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cuobjdump-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvprune-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvprune-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvprune-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-compiler-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-compiler-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-compiler-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cudart-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cudart-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cudart-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-driver-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-driver-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-driver-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cudart-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cudart-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cudart-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvdisasm-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvdisasm-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvdisasm-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-gdb-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-gdb-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-gdb-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvprof-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvprof-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvprof-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-memcheck-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-memcheck-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-memcheck-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cupti-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cupti-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cupti-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-gpu-library-advisor-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-gpu-library-advisor-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-gpu-library-advisor-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvtx-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvtx-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvtx-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-sanitizer-api-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-sanitizer-api-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-sanitizer-api-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-command-line-tools-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-command-line-tools-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-command-line-tools-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvrtc-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvrtc-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvrtc-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvrtc-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvrtc-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvrtc-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvml-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvml-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvml-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvgraph-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvgraph-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvgraph-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvgraph-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvgraph-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvgraph-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvjpeg-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvjpeg-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvjpeg-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvjpeg-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvjpeg-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvjpeg-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cusolver-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cusolver-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cusolver-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cusolver-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cusolver-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cusolver-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcublas10-10.2.0.168-1.x86_64.rpm"
+ rpm -i libcublas10-10.2.0.168-1.x86_64.rpm
+ rm libcublas10-10.2.0.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcublas-devel-10.2.0.168-1.x86_64.rpm"
+ rpm -i libcublas-devel-10.2.0.168-1.x86_64.rpm
+ rm libcublas-devel-10.2.0.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cufft-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cufft-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cufft-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cufft-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cufft-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cufft-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-curand-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-curand-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-curand-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-curand-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-curand-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-curand-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cusparse-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cusparse-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cusparse-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cusparse-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-cusparse-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-cusparse-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-npp-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-npp-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-npp-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-npp-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-npp-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-npp-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-samples-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-samples-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-samples-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-documentation-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-documentation-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-documentation-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nsight-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nsight-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nsight-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nsight-compute-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nsight-compute-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nsight-compute-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nsight-systems-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nsight-systems-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nsight-systems-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvvp-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-nvvp-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-nvvp-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-visual-tools-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-visual-tools-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-visual-tools-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-tools-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-tools-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-tools-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-libraries-dev-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-libraries-dev-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-libraries-dev-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-toolkit-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-toolkit-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-toolkit-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-libraries-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-libraries-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-libraries-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-drivers-418.67-1.x86_64.rpm"
+ rpm -i cuda-drivers-418.67-1.x86_64.rpm
+ rm cuda-drivers-418.67-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-runtime-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-runtime-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-runtime-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-demo-suite-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-demo-suite-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-demo-suite-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-10-1-10.1.168-1.x86_64.rpm"
+ rpm -i cuda-10-1-10.1.168-1.x86_64.rpm
+ rm cuda-10-1-10.1.168-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcutensor1-1.0.0-1.x86_64.rpm"
+ rpm -i libcutensor1-1.0.0-1.x86_64.rpm
+ rm libcutensor1-1.0.0-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcutensor-devel-1.0.0-1.x86_64.rpm"
+ rpm -i libcutensor-devel-1.0.0-1.x86_64.rpm
+ rm libcutensor-devel-1.0.0-1.x86_64.rpm
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcutensor-doc-1.0.0-1.x86_64.rpm"
+ rpm -i libcutensor-doc-1.0.0-1.x86_64.rpm
+ rm libcutensor-doc-1.0.0-1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libcudnn7-7.6.5.32-1.cuda10.1.x86_64.rpm"
+ rpm -i libcudnn7-7.6.5.32-1.cuda10.1.x86_64.rpm
+ rm libcudnn7-7.6.5.32-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libcudnn7-devel-7.6.5.32-1.cuda10.1.x86_64.rpm"
+ rpm -i libcudnn7-devel-7.6.5.32-1.cuda10.1.x86_64.rpm
+ rm libcudnn7-devel-7.6.5.32-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnccl-2.5.6-1+cuda10.1.x86_64.rpm"
+ rpm -i libnccl-2.5.6-1+cuda10.1.x86_64.rpm
+ rm libnccl-2.5.6-1+cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnccl-devel-2.5.6-1+cuda10.1.x86_64.rpm"
+ rpm -i libnccl-devel-2.5.6-1+cuda10.1.x86_64.rpm
+ rm libnccl-devel-2.5.6-1+cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvinfer6-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i libnvinfer6-6.0.1-1.cuda10.1.x86_64.rpm
+ rm libnvinfer6-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvinfer-devel-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i libnvinfer-devel-6.0.1-1.cuda10.1.x86_64.rpm
+ rm libnvinfer-devel-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvinfer-plugin6-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i libnvinfer-plugin6-6.0.1-1.cuda10.1.x86_64.rpm
+ rm libnvinfer-plugin6-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvinfer-plugin-devel-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i libnvinfer-plugin-devel-6.0.1-1.cuda10.1.x86_64.rpm
+ rm libnvinfer-plugin-devel-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvonnxparsers6-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i libnvonnxparsers6-6.0.1-1.cuda10.1.x86_64.rpm
+ rm libnvonnxparsers6-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvonnxparsers-devel-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i libnvonnxparsers-devel-6.0.1-1.cuda10.1.x86_64.rpm
+ rm libnvonnxparsers-devel-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvparsers6-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i libnvparsers6-6.0.1-1.cuda10.1.x86_64.rpm
+ rm libnvparsers6-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvparsers-devel-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i libnvparsers-devel-6.0.1-1.cuda10.1.x86_64.rpm
+ rm libnvparsers-devel-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/python3-libnvinfer-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i python3-libnvinfer-6.0.1-1.cuda10.1.x86_64.rpm
+ rm python3-libnvinfer-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/python3-libnvinfer-devel-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i python3-libnvinfer-devel-6.0.1-1.cuda10.1.x86_64.rpm
+ rm python3-libnvinfer-devel-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/python-libnvinfer-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i python-libnvinfer-6.0.1-1.cuda10.1.x86_64.rpm
+ rm python-libnvinfer-6.0.1-1.cuda10.1.x86_64.rpm
+
+ wget -N --wait=10 "${ML_REPO_URL}/python-libnvinfer-devel-6.0.1-1.cuda10.1.x86_64.rpm"
+ rpm -i python-libnvinfer-devel-6.0.1-1.cuda10.1.x86_64.rpm
+ rm python-libnvinfer-devel-6.0.1-1.cuda10.1.x86_64.rpm
+
+ # Cleanup
+ yum -y remove cuda-repo-rhel7-10-1-local-10.1.168-418.67-1.0-1.x86_64
+ yum -y clean all
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/centos/Singularity.centos-7.8.2003-mvapich-2.3.2 b/definition-files/centos/Singularity.centos-7.8.2003-mvapich-2.3.2
new file mode 100644
index 0000000000000000000000000000000000000000..befac98bbd6913435241dd9aaebe3c7f389576b7
--- /dev/null
+++ b/definition-files/centos/Singularity.centos-7.8.2003-mvapich-2.3.2
@@ -0,0 +1,93 @@
+Bootstrap: shub
+From: mkandes/centos:centos-7.8.2003
+
+%labels
+
+ APPLICATION_NAME centos + mvapich
+ APPLICATION_VERSION 7.8.2003 + 2.3.2
+ APPLICATION_URL https://mvapich.cse.ohio-state.edu
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200715
+
+%setup
+
+%environment
+
+ # Set paths to MVAPICH2 binaries and libraries
+ export PATH="/opt/mvapich2-2.3.2/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/mvapich2-2.3.2/lib:${LD_LIBRARY_PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://mirror.centos.org/centos-7/7.8.2003/os/x86_64'
+
+ # Set operating system version
+ export OSVERSION='7'
+
+ # Set system locale
+ export LC_ALL=C
+
+ # Update all software packages to their latest versions
+ yum -y check-update && yum -y update
+
+ # Install basic drivers for user space access to Ethernet, RDMA,
+ # and Infiniband. See https://community.mellanox.com/docs/DOC-2431
+ yum -y install dkms
+ yum -y install infiniband-diags
+ yum -y install infiniband-diags-devel
+ yum -y install libibverbs
+ yum -y install libibverbs-devel
+ yum -y install ibacm
+ yum -y install librdmacm
+ yum -y install librdmacm-devel
+ yum -y install libmlx4
+ yum -y install libmlx5
+ yum -y install mstflint
+ yum -y install libibcm
+ yum -y install libibmad
+ yum -y install libibmad-devel
+ yum -y install libibumad
+ yum -y install libibumad-devel
+ yum -y install opensm
+ yum -y install srptools
+
+ # Install additional tools
+ yum -y install ibutils
+ yum -y install libibverbs-utils
+ yum -y install librdmacm-utils
+ yum -y install perftest
+ yum -y install numactl
+
+ # Install libnl
+ yum -y install libnl3
+ yum -y install libnl3-devel
+
+ # Install mvapich2 (build) dependencies
+ yum -y install bison
+
+ cd /tmp
+
+ # Download, build, and install mvapich2
+ wget http://mvapich.cse.ohio-state.edu/download/mvapich/mv2/mvapich2-2.3.2.tar.gz
+ tar -xzvf mvapich2-2.3.2.tar.gz
+ cd mvapich2-2.3.2
+ ./configure --prefix=/opt/mvapich2-2.3.2
+ make
+ make install
+
+ # Cleanup
+ package-cleanup -q --leaves | xargs -l1 yum -y remove
+ yum -y clean all
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/centos/Singularity.centos-7.8.2003-openmpi-3.1.4 b/definition-files/centos/Singularity.centos-7.8.2003-openmpi-3.1.4
new file mode 100644
index 0000000000000000000000000000000000000000..43b34d60331cb19c914669995ef056e6d319e461
--- /dev/null
+++ b/definition-files/centos/Singularity.centos-7.8.2003-openmpi-3.1.4
@@ -0,0 +1,93 @@
+Bootstrap: shub
+From: mkandes/centos:centos-7.8.2003
+
+%labels
+
+ APPLICATION_NAME centos + openmpi
+ APPLICATION_VERSION 7.8.2003 + 3.1.4
+ APPLICATION_URL https://www.open-mpi.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200715
+
+%setup
+
+%environment
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://mirror.centos.org/centos-7/7.8.2003/os/x86_64'
+
+ # Set operating system version
+ export OSVERSION='7'
+
+ # Set system locale
+ export LC_ALL=C
+
+ # Update all software packages to their latest versions
+ yum -y check-update && yum -y update
+
+ # Install basic drivers for user space access to Ethernet, RDMA,
+ # and Infiniband. See https://community.mellanox.com/docs/DOC-2431
+ yum -y install dkms
+ yum -y install infiniband-diags
+ yum -y install infiniband-diags-devel
+ yum -y install libibverbs
+ yum -y install libibverbs-devel
+ yum -y install ibacm
+ yum -y install librdmacm
+ yum -y install librdmacm-devel
+ yum -y install libmlx4
+ yum -y install libmlx5
+ yum -y install mstflint
+ yum -y install libibcm
+ yum -y install libibmad
+ yum -y install libibmad-devel
+ yum -y install libibumad
+ yum -y install libibumad-devel
+ yum -y install opensm
+ yum -y install srptools
+
+ # Install additional tools
+ yum -y install ibutils
+ yum -y install libibverbs-utils
+ yum -y install librdmacm-utils
+ yum -y install perftest
+ yum -y install numactl
+
+ # Install libnl
+ yum -y install libnl3
+ yum -y install libnl3-devel
+
+ # Install OpenMPI dependencies
+ yum -y install zlib
+ yum -y install zlib-devel
+
+ cd /tmp
+
+ # Download, build, and install OpenMPI
+ wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.4.tar.gz
+ tar -xzvf openmpi-3.1.4.tar.gz
+ cd openmpi-3.1.4
+ ./configure --prefix=/opt/openmpi-3.1.4
+ make all install
+
+ # Cleanup
+ package-cleanup -q --leaves | xargs -l1 yum -y remove
+ yum -y clean all
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/fenics/Singularity.fenics-2019.1.0 b/definition-files/fenics/Singularity.fenics-2019.1.0
new file mode 100644
index 0000000000000000000000000000000000000000..76a21c17d435cfb180c892ac3edba841264fbe80
--- /dev/null
+++ b/definition-files/fenics/Singularity.fenics-2019.1.0
@@ -0,0 +1,265 @@
+Bootstrap: shub
+From: mkandes/ubuntu-openmpi:latest
+
+%labels
+
+ APPLICATION_NAME fenics
+ APPLICATION_VERSION 2019.1.0.post0
+ APPLICATION_URL https://fenicsproject.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200529
+
+%setup
+
+%environment
+
+ # Set locale environment
+ export LC_ALL=C.UTF-8
+ export LANG=C.UTF-8
+ export LANGUAGE=C.UTF-8
+
+ # Set paths to HDF5 binaries and libraries
+ export PATH="/opt/hdf5-1.10.1/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/hdf5-1.10.1/lib:${LD_LIBRARY_PATH}"
+
+ # Set path to PETSC libraries
+ export PETSC_DIR='/opt/petsc-3.12.3'
+ export LD_LIBRARY_PATH="${PETSC_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Set path to SLEPC libraries
+ export SLEPC_DIR='/opt/slepc-3.12.1'
+ export LD_LIBRARY_PATH="${SLEPC_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Set FEniCS environment variables
+ export OPENBLAS_NUM_THREADS=1
+ export OPENBLAS_VERBOSE=0
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+ # Set paths to OSU Microbenchmarks binaries
+ export PATH="/opt/omb-5.6.2/collective:${PATH}"
+ export PATH="/opt/omb-5.6.2/one-sided:${PATH}"
+ export PATH="/opt/omb-5.6.2/pt2pt:${PATH}"
+ export PATH="/opt/omb-5.6.2/startup:${PATH}"
+
+ # Upgrade all packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install all base FEniCS dependencies
+ apt-get -y install locales
+
+ # Set locale environment
+ echo "C.UTF-8 UTF-8" > /etc/locale.gen
+ locale-gen
+ export LC_ALL=C.UTF-8
+ export LANG=C.UTF-8
+ export LANGUAGE=C.UTF-8
+
+ # Install all core (dev-env) FEniCS dependencies available via apt-get
+ # https://bitbucket.org/fenics-project/docker/src/master/dockerfiles/dev-env/Dockerfile
+ # Non-Python utilities and libraries
+ apt-get -y install bison
+ apt-get -y install curl
+ apt-get -y install ccache
+ apt-get -y install cmake
+ apt-get -y install doxygen
+ apt-get -y install flex
+ apt-get -y install g++
+ apt-get -y install gfortran
+ apt-get -y install git
+ apt-get -y install git-lfs
+ apt-get -y install graphviz
+ apt-get -y install libboost-dev
+ apt-get -y install libboost-filesystem-dev
+ apt-get -y install libboost-iostreams-dev
+ apt-get -y install libboost-math-dev
+ apt-get -y install libboost-program-options-dev
+ apt-get -y install libboost-system-dev
+ apt-get -y install libboost-thread-dev
+ apt-get -y install libboost-timer-dev
+ apt-get -y install libeigen3-dev
+ apt-get -y install libfreetype6-dev
+ apt-get -y install liblapack-dev
+ apt-get -y install libopenblas-dev
+ apt-get -y install libpcre3-dev
+ apt-get -y install libpng-dev
+ apt-get -y install libgmp-dev
+ apt-get -y install libcln-dev
+ apt-get -y install libmpfr-dev
+ apt-get -y install man
+ apt-get -y install nano
+ apt-get -y install pkg-config
+ apt-get -y install wget
+ apt-get -y install bash-completion
+ apt-get -y install zlib1g-dev
+
+ git lfs install
+
+ # Install Python3 based environment
+ apt-get -y install python3-dev
+ apt-get -y install python3-flufl.lock
+ apt-get -y install python3-numpy
+ apt-get -y install python3-ply
+ apt-get -y install python3-pytest
+ apt-get -y install python3-scipy
+ apt-get -y install python3-tk
+ apt-get -y install python3-urllib3
+ apt-get -y install python3-minimal
+
+ cd /tmp
+
+ # Install setuptools
+ wget https://bootstrap.pypa.io/get-pip.py
+ python3 get-pip.py
+ pip3 install --no-cache-dir setuptools
+
+ cd /tmp
+
+ # Download, build, and install HDF5
+ wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.1/src/hdf5-1.10.1.tar.gz
+ tar -xf hdf5-1.10.1.tar.gz
+ cd hdf5-1.10.1
+ ./configure CC=mpicc \
+ CXX=mpic++ \
+ --prefix='/opt/hdf5-1.10.1' \
+ --enable-parallel \
+ --enable-fortran \
+ --enable-shared
+ #--with-zlib='/opt/zlib-1.2.11'
+ make
+ make install
+
+ export PATH="/opt/hdf5-1.10.1/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/hdf5-1.10.1/lib:${LD_LIBRARY_PATH}"
+
+ cd /tmp
+
+ # Use symbolic link for python2/3-compatability
+ ln -s /usr/bin/python3 /usr/bin/python
+
+ # Download, build, and Install PETSc
+ wget https://gitlab.com/petsc/petsc/-/archive/v3.12.3/petsc-v3.12.3.tar.gz
+ tar -xf petsc-v3.12.3.tar.gz
+ cd petsc-v3.12.3
+ ./configure --prefix='/opt/petsc-3.12.3' \
+ --with-petsc-arch='arch-linux-c-opt' \
+ --COPTFLAGS='-O2' \
+ --CXXOPTFLAGS='-O2' \
+ --FOPTFLAGS='-O2' \
+ --with-fortran-bindings=no \
+ --with-debugging=0 \
+ --download-blacs \
+ --download-hypre \
+ --download-metis \
+ --download-mumps \
+ --download-ptscotch \
+ --download-scalapack \
+ --download-spai \
+ --download-suitesparse \
+ --download-superlu
+ make
+ make install
+
+ export PETSC_DIR='/opt/petsc-3.12.3'
+ export LD_LIBRARY_PATH="${PETSC_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ cd /tmp
+
+ # Download, build, and install SLEPc
+ wget https://gitlab.com/slepc/slepc/-/archive/v3.12.1/slepc-v3.12.1.tar.gz
+ tar -xf slepc-v3.12.1.tar.gz
+ cd slepc-v3.12.1
+ ./configure --prefix='/opt/slepc-3.12.1'
+ make
+ make install
+
+ export SLEPC_DIR='/opt/slepc-3.12.1'
+ export LD_LIBRARY_PATH="${SLEPC_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ cd /tmp
+
+ # Install jupyterlab, sympy, mpi4py, petsc4py, slepc4py and pybind11
+ pip3 install --no-cache-dir jupyter jupyterlab matplotlib sympy==1.1.1 pkgconfig
+ pip3 install --no-cache-dir https://github.com/mpi4py/mpi4py/archive/3.0.3.tar.gz
+ pip3 install --no-cache-dir https://bitbucket.org/petsc/petsc4py/downloads/petsc4py-3.12.0.tar.gz
+ pip3 install --no-cache-dir https://bitbucket.org/slepc/slepc4py/downloads/slepc4py-3.12.0.tar.gz
+ pip3 install --no-cache-dir pybind11==2.4.3
+ wget https://github.com/pybind/pybind11/archive/v2.4.3.tar.gz
+ tar -xf v2.4.3.tar.gz
+ cd pybind11-2.4.3
+ mkdir build
+ cd build
+ cmake -DPYBIND11_TEST=False ../
+ make
+ make install
+
+ cd /tmp
+
+ # Download, build, and install FEnICs
+ PIP_NO_CACHE_DIR=off python3 -m pip install 'fenics>=2019.1.0,<2019.2.0'
+ git clone https://bitbucket.org/fenics-project/dolfin.git
+ cd dolfin
+ git checkout 2019.1.0.post0
+ mkdir build
+ cd build
+ cmake ../
+ make
+ make install
+
+ mv /usr/local/share/dolfin/demo /tmp/demo
+ mkdir -p /usr/local/share/dolfin/demo
+ mv /tmp/demo /usr/local/share/dolfin/demo/cpp
+ cd ../python
+ PIP_NO_CACHE_DIR=off python3 -m pip install .
+
+ cd demo
+ python3 generate-demo-files.py
+ mkdir -p /usr/local/share/dolfin/demo/python
+ cp -r documented /usr/local/share/dolfin/demo/python
+ cp -r undocumented /usr/local/share/dolfin/demo/python
+
+ cd /tmp
+
+ git clone https://bitbucket.org/fenics-project/mshr.git
+ cd mshr
+ git checkout 2019.1.0
+ mkdir build
+ cd build
+ cmake ../
+ make
+ make install
+ cd ../python
+ PIP_NO_CACHE_DIR=off python3 -m pip install .
+ ldconfig
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/gromacs/Singularity.gromacs-2020.3-ubuntu-18.04-cuda-10.1.168-tmpi-avx-512-cuda-70 b/definition-files/gromacs/Singularity.gromacs-2020.3-ubuntu-18.04-cuda-10.1.168-tmpi-avx-512-cuda-70
new file mode 100644
index 0000000000000000000000000000000000000000..a26ab56dbf6612abd524478b8719a6e963342d15
--- /dev/null
+++ b/definition-files/gromacs/Singularity.gromacs-2020.3-ubuntu-18.04-cuda-10.1.168-tmpi-avx-512-cuda-70
@@ -0,0 +1,104 @@
+Bootstrap: shub
+From: mkandes/ubuntu-cuda:ubuntu-18.04-cuda-10.1.168
+
+%labels
+
+ APPLICATION_NAME gromacs
+ APPLICATION_VERSION 2020.3
+ APPLICATION_URL http://www.gromacs.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200919
+
+%setup
+
+%environment
+
+ # Set GROMACS version number, build type, root and installation
+ # directories as well as its source repository URL
+ export GROMACS_VERSION='2020.3'
+ export GROMACS_BUILD='tmpi-cuda'
+ export GROMACS_ROOT_DIR='/opt/gromacs'
+ export GROMACS_INSTALL_DIR="${GROMACS_ROOT_DIR}/${GROMACS_VERSION}"
+ export GROMACS_ROOT_URL='http://ftp.gromacs.org/pub'
+
+ # Source GROMACS environment script
+ . "${GROMACS_INSTALL_DIR}/bin/GMXRC"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_HOME='/usr/local/cuda-10.1'
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Set GROMACS version number, build type, root and installation
+ # directories as well as its source repository URL
+ export GROMACS_VERSION='2020.3'
+ export GROMACS_BUILD='tmpi-cuda'
+ export GROMACS_ROOT_DIR='/opt/gromacs'
+ export GROMACS_INSTALL_DIR="${GROMACS_ROOT_DIR}/${GROMACS_VERSION}"
+ export GROMACS_ROOT_URL='http://ftp.gromacs.org/pub'
+
+ cd /tmp
+
+ # Download, build, and install GROMACS
+ wget "${GROMACS_ROOT_URL}/gromacs/gromacs-${GROMACS_VERSION}.tar.gz"
+ tar -xf "gromacs-${GROMACS_VERSION}.tar.gz"
+ cd "gromacs-${GROMACS_VERSION}"
+ mkdir -p build
+ cd build
+ cmake .. \
+ -DCMAKE_C_COMPILER=gcc \
+ -DCMAKE_CXX_COMPILER=g++ \
+ -DCMAKE_BUILD_TYPE=Release \
+ -DCMAKE_INSTALL_PREFIX="${GROMACS_INSTALL_DIR}" \
+ -DGMX_PREFER_STATIC_LIBS=ON \
+ -DBUILD_SHARED_LIBS=OFF \
+ -DGMX_EXTERNAL_BLAS=OFF \
+ -DGMX_EXTERNAL_BOOST=OFF \
+ -DGMX_EXTERNAL_LAPACK=OFF \
+ -DGMX_FFT_LIBRARY=fftw3 \
+ -DGMX_BUILD_OWN_FFTW=ON \
+ -DGMX_DOUBLE=OFF \
+ -DGMX_SIMD=AVX_512 \
+ -DGMX_MPI=OFF \
+ -DGMX_OPENMP=OFF \
+ -DGMX_GPU=ON \
+ -DGMX_CUDA_TARGET_COMPUTE='70' \
+ -DGMX_CUDA_TARGET_SM='70' \
+ -DREGRESSIONTEST_DOWNLOAD=OFF
+ make
+ make install
+
+ # Cleanup
+ rm -rf "/tmp/gromacs-${GROMACS_VERSION}"
+ rm "gromacs-${GROMACS_VERSION}.tar.gz"
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/hpl/Singularity.hpl-2.3-ubuntu-18.04-openmpi-3.1.4-openblas-0.13.0 b/definition-files/hpl/Singularity.hpl-2.3-ubuntu-18.04-openmpi-3.1.4-openblas-0.13.0
new file mode 100644
index 0000000000000000000000000000000000000000..2c2e363e2f5d3496c9c018006caf55ebe62ecd8c
--- /dev/null
+++ b/definition-files/hpl/Singularity.hpl-2.3-ubuntu-18.04-openmpi-3.1.4-openblas-0.13.0
@@ -0,0 +1,141 @@
+Bootstrap: shub
+From: mkandes/ubuntu-openmpi:ubuntu-18.04-openmpi-3.1.4
+
+%labels
+
+ APPLICATION_NAME High-Performance Linpack (HPL)
+ APPLICATION_VERSION 2.3
+ APPLICATION_URL https://www.netlib.org/benchmark/hpl
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200904
+
+%setup
+
+%environment
+
+ # Set OpenBLAS version number, target architecture, maximum number
+ # of threads, root and installation directories
+ export OPENBLAS_VERSION='0.3.10'
+ export OPENBLAS_ROOT_DIR='/opt/openblas'
+ export OPENBLAS_INSTALL_DIR="${OPENBLAS_ROOT_DIR}/${OPENBLAS_VERSION}"
+ export OPENBLAS_USE_OPENMP=1
+ export OPENBLAS_DYNAMIC_ARCH=1
+ export OPENBLAS_TARGET_ARCH='HASWELL'
+ export OPENBLAS_MAX_NUM_THREADS=256
+
+ # Set path to OpenBLAS libraries
+ export LD_LIBRARY_PATH="${OPENBLAS_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Set HPL version number, target architecture, root and installation
+ # directories
+ export HPL_VERSION='2.3'
+ export HPL_ARCH='linux64'
+ export HPL_ROOT_DIR='/opt/hpl'
+ export HPL_INSTALL_DIR="${HPL_ROOT_DIR}/${HPL_VERSION}"
+
+ # Set path to HPL binary
+ export PATH="${HPL_INSTALL_DIR}/bin:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /tmp
+
+ # Set OpenBLAS version number, target architecture, maximum number
+ # of threads, root and installation directories
+ export OPENBLAS_VERSION='0.3.10'
+ export OPENBLAS_ROOT_DIR='/opt/openblas'
+ export OPENBLAS_INSTALL_DIR="${OPENBLAS_ROOT_DIR}/${OPENBLAS_VERSION}"
+ export OPENBLAS_USE_OPENMP=1
+ export OPENBLAS_DYNAMIC_ARCH=1
+ export OPENBLAS_TARGET_ARCH='HASWELL'
+ export OPENBLAS_MAX_NUM_THREADS=256
+
+ # Download, build, and install OpenBLAS
+ git clone https://github.com/xianyi/OpenBLAS.git
+ cd OpenBLAS
+ git checkout "v${OPENBLAS_VERSION}"
+ if (( "${OPENBLAS_DYNAMIC_ARCH}" == 1 )); then
+ make FC='gfortran' BINARY=64 USE_OPENMP="${OPENBLAS_USE_OPENMP}" DYNAMIC_ARCH=1 NUM_THREADS="${OPENBLAS_MAX_NUM_THREADS}"
+ else
+ make FC='gfortran' BINARY=64 USE_OPENMP="${OPENBLAS_USE_OPENMP}" TARGET="${OPENBLAS_TARGET_ARCH}" NUM_THREADS="${OPENBLAS_MAX_NUM_THREADS}"
+ fi
+ make PREFIX="${OPENBLAS_INSTALL_DIR}" install
+
+ # Set path to OpenBLAS libraries
+ export LD_LIBRARY_PATH="${OPENBLAS_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ cd /tmp
+
+ # Remove OpenBLAS build directory
+ rm -rf OpenBLAS
+
+ # Set HPL version number, target architecture, root and installation
+ # directories
+ export HPL_VERSION='2.3'
+ export HPL_ARCH='linux64'
+ export HPL_ROOT_DIR='/opt/hpl'
+ export HPL_INSTALL_DIR="${HPL_ROOT_DIR}/${HPL_VERSION}"
+
+ # Download, build, and install HPL
+ wget "http://www.netlib.org/benchmark/hpl/hpl-${HPL_VERSION}.tar.gz"
+ tar -xf "hpl-${HPL_VERSION}.tar.gz"
+ cd "hpl-${HPL_VERSION}/setup"
+ source make_generic
+ mv Make.UNKNOWN Make.linux64
+ sed -i 's/ARCH = UNKNOWN/ARCH = linux64/' Make.linux64
+ sed -i 's/TOPdir = $(HOME)\/hpl/TOPdir =/' Make.linux64
+ sed -i "s/TOPdir =/TOPdir = \/opt\/hpl\/${HPL_VERSION}/" Make.linux64
+ sed -i 's/MPdir = /MPdir = \/opt\/openmpi-3.1.4/' Make.linux64
+ sed -i 's/MPinc = /MPinc = -I$(MPdir)\/include/' Make.linux64
+ sed -i 's/MPlib = /MPlib = $(MPdir)\/lib\/libmpi.so/' Make.linux64
+ sed -i "s/LAdir = /LAdir = \/opt\/openblas\/${OPENBLAS_VERSION}/" Make.linux64
+ sed -i 's/LAinc = /LAinc = -I$(LAdir)\/include/' Make.linux64
+ sed -i 's/LAlib = -lblas/LAlib = $(LAdir)\/lib\/libopenblas.a/' Make.linux64
+ sed -i 's/LINKER = mpif77/LINKER = mpicc/' Make.linux64
+ cp Make.linux64 ../
+ cd ../
+ export LDFLAGS="-L${OPENBLAS_INSTALL_DIR}/lib"
+ ./configure --prefix="${HPL_INSTALL_DIR}"
+ make arch='linux64'
+ make install
+
+ cd /tmp
+
+ # Remove HPL build directory and source tarball
+ rm -rf "hpl-${HPL_VERSION}"
+ rm "hpl-${HPL_VERSION}.tar.gz"
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/hpl/Singularity.hpl-2.3-ubuntu-18.04-openmpi-3.1.6-openblas-0.13.0 b/definition-files/hpl/Singularity.hpl-2.3-ubuntu-18.04-openmpi-3.1.6-openblas-0.13.0
new file mode 100644
index 0000000000000000000000000000000000000000..863e2e16395a2cdc358e48682267b5de7cf0d305
--- /dev/null
+++ b/definition-files/hpl/Singularity.hpl-2.3-ubuntu-18.04-openmpi-3.1.6-openblas-0.13.0
@@ -0,0 +1,156 @@
+Bootstrap: shub
+From: mkandes/ubuntu-openmpi:ubuntu-18.04-openmpi-3.1.6
+
+%labels
+
+ APPLICATION_NAME High-Performance Linpack (HPL)
+ APPLICATION_VERSION 2.3
+ APPLICATION_URL https://www.netlib.org/benchmark/hpl
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200906
+
+%setup
+
+%environment
+
+ # Set OpenBLAS version number, target architecture, maximum number
+ # of threads, root and installation directories
+ export OPENBLAS_VERSION='0.3.10'
+ export OPENBLAS_ROOT_DIR='/opt/openblas'
+ export OPENBLAS_INSTALL_DIR="${OPENBLAS_ROOT_DIR}/${OPENBLAS_VERSION}"
+ export OPENBLAS_USE_OPENMP=1
+ export OPENBLAS_DYNAMIC_ARCH=1
+ export OPENBLAS_TARGET_ARCH='HASWELL'
+ export OPENBLAS_MAX_NUM_THREADS=256
+
+ # Set path to OpenBLAS libraries
+ export LD_LIBRARY_PATH="${OPENBLAS_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Set HPL version number, target architecture, root and installation
+ # directories
+ export HPL_VERSION='2.3'
+ export HPL_ARCH='linux64'
+ export HPL_ROOT_DIR='/opt/hpl'
+ export HPL_INSTALL_DIR="${HPL_ROOT_DIR}/${HPL_VERSION}"
+
+ # Set path to HPL binary
+ export PATH="${HPL_INSTALL_DIR}/bin:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set Mellanox OFED version number, operating system, and hardware
+ # platform
+ export MLNX_OFED_VERSION='4.7-3.2.9.0'
+ export MLNX_OS_VERSION='ubuntu18.04'
+ export MLNX_PLATFORM='x86_64'
+
+ # Set OpenMPI major, minor, and revision versions, root and
+ # installation directories
+ export OPENMPI_MAJOR_VERSION=3
+ export OPENMPI_MINOR_VERSION=1
+ export OPENMPI_REVISION_VERSION=6
+ export OPENMPI_VERSION="${OPENMPI_MAJOR_VERSION}.${OPENMPI_MINOR_VERSION}.${OPENMPI_REVISION_VERSION}"
+ export OPENMPI_ROOT_DIR='/opt/openmpi'
+ export OPENMPI_INSTALL_DIR="${OPENMPI_ROOT_DIR}/${OPENMPI_VERSION}"
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="${OPENMPI_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${OPENMPI_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /tmp
+
+ # Set OpenBLAS version number, target architecture, maximum number
+ # of threads, root and installation directories
+ export OPENBLAS_VERSION='0.3.10'
+ export OPENBLAS_ROOT_DIR='/opt/openblas'
+ export OPENBLAS_INSTALL_DIR="${OPENBLAS_ROOT_DIR}/${OPENBLAS_VERSION}"
+ export OPENBLAS_USE_OPENMP=1
+ export OPENBLAS_DYNAMIC_ARCH=1
+ export OPENBLAS_TARGET_ARCH='HASWELL'
+ export OPENBLAS_MAX_NUM_THREADS=256
+
+ # Download, build, and install OpenBLAS
+ git clone https://github.com/xianyi/OpenBLAS.git
+ cd OpenBLAS
+ git checkout "v${OPENBLAS_VERSION}"
+ if (( "${OPENBLAS_DYNAMIC_ARCH}" == 1 )); then
+ make FC='gfortran' BINARY=64 USE_OPENMP="${OPENBLAS_USE_OPENMP}" DYNAMIC_ARCH=1 NUM_THREADS="${OPENBLAS_MAX_NUM_THREADS}"
+ else
+ make FC='gfortran' BINARY=64 USE_OPENMP="${OPENBLAS_USE_OPENMP}" TARGET="${OPENBLAS_TARGET_ARCH}" NUM_THREADS="${OPENBLAS_MAX_NUM_THREADS}"
+ fi
+ make PREFIX="${OPENBLAS_INSTALL_DIR}" install
+
+ # Set path to OpenBLAS libraries
+ export LD_LIBRARY_PATH="${OPENBLAS_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ cd /tmp
+
+ # Remove OpenBLAS build directory
+ rm -rf OpenBLAS
+
+ # Set HPL version number, target architecture, root and installation
+ # directories
+ export HPL_VERSION='2.3'
+ export HPL_ARCH='linux64'
+ export HPL_ROOT_DIR='/opt/hpl'
+ export HPL_INSTALL_DIR="${HPL_ROOT_DIR}/${HPL_VERSION}"
+
+ # Download, build, and install HPL
+ wget "http://www.netlib.org/benchmark/hpl/hpl-${HPL_VERSION}.tar.gz"
+ tar -xf "hpl-${HPL_VERSION}.tar.gz"
+ cd "hpl-${HPL_VERSION}/setup"
+ source make_generic
+ mv Make.UNKNOWN Make.linux64
+ sed -i 's/ARCH = UNKNOWN/ARCH = linux64/' Make.linux64
+ sed -i 's/TOPdir = $(HOME)\/hpl/TOPdir =/' Make.linux64
+ sed -i "s/TOPdir =/TOPdir = \/opt\/hpl\/${HPL_VERSION}/" Make.linux64
+ sed -i 's/MPdir = /MPdir = \/opt\/openmpi-3.1.6/' Make.linux64
+ sed -i 's/MPinc = /MPinc = -I$(MPdir)\/include/' Make.linux64
+ sed -i 's/MPlib = /MPlib = $(MPdir)\/lib\/libmpi.so/' Make.linux64
+ sed -i "s/LAdir = /LAdir = \/opt\/openblas\/${OPENBLAS_VERSION}/" Make.linux64
+ sed -i 's/LAinc = /LAinc = -I$(LAdir)\/include/' Make.linux64
+ sed -i 's/LAlib = -lblas/LAlib = $(LAdir)\/lib\/libopenblas.a/' Make.linux64
+ sed -i 's/LINKER = mpif77/LINKER = mpicc/' Make.linux64
+ cp Make.linux64 ../
+ cd ../
+ export LDFLAGS="-L${OPENBLAS_INSTALL_DIR}/lib"
+ ./configure --prefix="${HPL_INSTALL_DIR}"
+ make arch='linux64'
+ make install
+
+ cd /tmp
+
+ # Remove HPL build directory and source tarball
+ rm -rf "hpl-${HPL_VERSION}"
+ rm "hpl-${HPL_VERSION}.tar.gz"
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/ior/Singularity.ior-3.3.0rc1-ubuntu-18.04-openmpi-3.1.4 b/definition-files/ior/Singularity.ior-3.3.0rc1-ubuntu-18.04-openmpi-3.1.4
new file mode 100644
index 0000000000000000000000000000000000000000..73ab66cc32c18ce655454645e0142d902f9ca0b0
--- /dev/null
+++ b/definition-files/ior/Singularity.ior-3.3.0rc1-ubuntu-18.04-openmpi-3.1.4
@@ -0,0 +1,77 @@
+Bootstrap: shub
+From: mkandes/ubuntu-openmpi:ubuntu-18.04-openmpi-3.1.4
+
+%labels
+
+ APPLICATION_NAME IOR
+ APPLICATION_VERSION 3.3.0rc1
+ APPLICATION_URL https://ior.readthedocs.io
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200805
+
+%setup
+
+%environment
+
+ # Set IOR version number, root and installation directories
+ export IOR_VERSION='3.3.0rc1'
+ export IOR_ROOT_DIR='/opt/ior'
+ export IOR_INSTALL_DIR="${IOR_ROOT_DIR}/${IOR_VERSION}"
+
+ # Set path to IOR binary and libraries
+ export PATH="${IOR_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${IOR_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /tmp
+
+ # Set IOR version number, root and installation directories
+ export IOR_VERSION='3.3.0rc1'
+ export IOR_ROOT_DIR='/opt/ior'
+ export IOR_INSTALL_DIR="${IOR_ROOT_DIR}/${IOR_VERSION}"
+
+ # Download, build, and install IOR
+ git clone https://github.com/hpc/ior.git
+ cd ior
+ git checkout "${IOR_VERSION}"
+ ./bootstrap
+ ./configure --prefix="${IOR_INSTALL_DIR}"
+ make
+ make install
+
+ # Cleanup
+ rm -rf /tmp/ior
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/ior/Singularity.ior-3.3.0rc1-ubuntu-18.04-openmpi-3.1.6 b/definition-files/ior/Singularity.ior-3.3.0rc1-ubuntu-18.04-openmpi-3.1.6
new file mode 100644
index 0000000000000000000000000000000000000000..29f0f8441284f1abf50acb1f3d7232a02fa693a5
--- /dev/null
+++ b/definition-files/ior/Singularity.ior-3.3.0rc1-ubuntu-18.04-openmpi-3.1.6
@@ -0,0 +1,96 @@
+Bootstrap: shub
+From: mkandes/ubuntu-openmpi:ubuntu-18.04-openmpi-3.1.6
+
+%labels
+
+ APPLICATION_NAME IOR
+ APPLICATION_VERSION 3.3.0rc1
+ APPLICATION_URL https://ior.readthedocs.io
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200809
+
+%setup
+
+%environment
+
+ # Set IOR version number, root and installation directories
+ export IOR_VERSION='3.3.0rc1'
+ export IOR_ROOT_DIR='/opt/ior'
+ export IOR_INSTALL_DIR="${IOR_ROOT_DIR}/${IOR_VERSION}"
+
+ # Set path to IOR binary and libraries
+ export PATH="${IOR_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${IOR_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set Mellanox OFED version number, operating system, and hardware
+ # platform
+ export MLNX_OFED_VERSION='4.7-3.2.9.0'
+ export MLNX_OS_VERSION='ubuntu18.04'
+ export MLNX_PLATFORM='x86_64'
+
+ # Set OpenMPI major, minor, and revision versions, root and
+ # installation directories
+ export OPENMPI_MAJOR_VERSION=3
+ export OPENMPI_MINOR_VERSION=1
+ export OPENMPI_REVISION_VERSION=6
+ export OPENMPI_VERSION="${OPENMPI_MAJOR_VERSION}.${OPENMPI_MINOR_VERSION}.${OPENMPI_REVISION_VERSION}"
+ export OPENMPI_ROOT_DIR='/opt/openmpi'
+ export OPENMPI_INSTALL_DIR="${OPENMPI_ROOT_DIR}/${OPENMPI_VERSION}"
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="${OPENMPI_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${OPENMPI_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /tmp
+
+ # Set IOR version number, root and installation directories
+ export IOR_VERSION='3.3.0rc1'
+ export IOR_ROOT_DIR='/opt/ior'
+ export IOR_INSTALL_DIR="${IOR_ROOT_DIR}/${IOR_VERSION}"
+
+ # Download, build, and install IOR
+ git clone https://github.com/hpc/ior.git
+ cd ior
+ git checkout "${IOR_VERSION}"
+ ./bootstrap
+ ./configure --prefix="${IOR_INSTALL_DIR}"
+ make
+ make install
+
+ cd /tmp
+
+ # Remove IOR build directory and source repository
+ rm -rf ior
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/mxnet/Singularity.mxnet-1.7.0 b/definition-files/mxnet/Singularity.mxnet-1.7.0
new file mode 100644
index 0000000000000000000000000000000000000000..89373131749e8c1bc4e86102f3ffec3807aa76b3
--- /dev/null
+++ b/definition-files/mxnet/Singularity.mxnet-1.7.0
@@ -0,0 +1,110 @@
+Bootstrap: shub
+From: mkandes/ubuntu-cuda-openmpi:latest
+
+%labels
+
+ APPLICATION_NAME mxnet
+ APPLICATION_VERSION 1.7.0
+ APPLICATION_URL https://mxnet.io
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200915
+
+%setup
+
+%environment
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_HOME='/usr/local/cuda-10.1'
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install python3 and some common core packages
+ apt-get -y install python3-dev
+ apt-get -y install python3-pip
+ apt-get -y install python3-setuptools
+ apt-get -y install python3-virtualenv
+
+ # Install MXNet dependencies and prerequisites
+ apt-get -y install build-essential
+ apt-get -y install ccache
+ apt-get -y install cmake
+ apt-get -y install git
+ apt-get -y install ninja-build
+ apt-get -y install libopenblas-dev
+ apt-get -y install liblapack-dev
+ apt-get -y install libopencv-dev
+ apt-get -y install python3-opencv
+ apt-get -y install libjemalloc-dev
+
+ cd /opt
+
+ # Download, build, and install MXNet core (shared) library
+ git clone --recursive https://github.com/apache/incubator-mxnet.git
+ mv incubator-mxnet mxnet-1.7.0
+ cd mxnet-1.7.0
+ git checkout 1.7.0
+ git submodule sync
+ git submodule update --init --recursive
+ sed -i 's/KNOWN_CUDA_ARCHS := 30 35 50 52 60 61 70 75/KNOWN_CUDA_ARCHS := 30 35 37 50 52 60 61 70 75/g' Makefile
+ make USE_BLAS='openblas' USE_LAPACK_PATH='/usr/lib/x86_64-linux-gnu' USE_OPENMP=1 USE_JEMALLOC=0 USE_CUDA=1 USE_CUDA_PATH=/usr/local/cuda USE_CUDNN=1 USE_NCCL=1 USE_MKLDNN=0 USE_OPENCV=1 USE_DIST_KVSTORE=1
+
+ # Install common mathematical and scientific python3 packages
+ apt-get -y install python3-numpy
+ apt-get -y install python3-scipy
+ apt-get -y install python3-pandas
+ apt-get -y install python3-sklearn
+ apt-get -y install python3-skimage
+ apt-get -y install python3-statsmodels
+ apt-get -y install python3-matplotlib
+ apt-get -y install python3-plotly
+ apt-get -y install python3-seaborn
+ apt-get -y install python3-astropy
+ apt-get -y install python3-biopython
+ apt-get -y install python3-h5py
+ apt-get -y install python3-nltk
+ apt-get -y install python3-sympy
+
+ # Install JupyterLab
+ apt-get -y install jupyter
+ pip3 install jupyterlab
+
+ # Install MXNet python3 bindings
+ cd python
+ python3 setup.py install
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/omb/Singularity.omb-5.6.3-centos-7.8.2003-mvapich-2.3.2 b/definition-files/omb/Singularity.omb-5.6.3-centos-7.8.2003-mvapich-2.3.2
new file mode 100644
index 0000000000000000000000000000000000000000..58c04de5ba050b3db201513efd1bf205fee35e0d
--- /dev/null
+++ b/definition-files/omb/Singularity.omb-5.6.3-centos-7.8.2003-mvapich-2.3.2
@@ -0,0 +1,72 @@
+Bootstrap: shub
+From: mkandes/centos-mvapich:centos-7.8.2003-mvapich-2.3.2
+
+%labels
+
+ APPLICATION_NAME OSU Microbenchmarks
+ APPLICATION_VERSION 5.6.3
+ APPLICATION_URL http://mvapich.cse.ohio-state.edu/benchmarks
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200716
+
+%setup
+
+%environment
+
+ # Set paths to OSU Microbenchmarks binaries
+ export PATH="/opt/omb-5.6.3/collective:${PATH}"
+ export PATH="/opt/omb-5.6.3/one-sided:${PATH}"
+ export PATH="/opt/omb-5.6.3/pt2pt:${PATH}"
+ export PATH="/opt/omb-5.6.3/startup:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://mirror.centos.org/centos-7/7.8.2003/os/x86_64'
+
+ # Set operating system version
+ export OSVERSION='7'
+
+ # Set system locale
+ export LC_ALL=C
+
+ # Set paths to MVAPICH2 binaries and libraries
+ export PATH="/opt/mvapich2-2.3.2/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/mvapich2-2.3.2/lib:${LD_LIBRARY_PATH}"
+
+ # Update all software packages to their latest versions
+ yum -y check-update && yum -y update
+
+ cd /tmp
+
+ # Download, build, and install OSU Microbenchmarks
+ wget http://mvapich.cse.ohio-state.edu/download/mvapich/osu-micro-benchmarks-5.6.3.tar.gz
+ tar -xf osu-micro-benchmarks-5.6.3.tar.gz
+ cd osu-micro-benchmarks-5.6.3
+ ./configure --prefix='/opt/omb-5.6.3' CC='mpicc' CXX='mpicxx'
+ make
+ make install
+
+ # Reorganize OSU Microbenchmarks directory structure
+ cd /opt/omb-5.6.3
+ mv libexec/osu-micro-benchmarks/mpi/collective ./
+ mv libexec/osu-micro-benchmarks/mpi/one-sided ./
+ mv libexec/osu-micro-benchmarks/mpi/pt2pt ./
+ mv libexec/osu-micro-benchmarks/mpi/startup ./
+ rm -rf libexec
+
+ # Cleanup
+ package-cleanup -q --leaves | xargs -l1 yum -y remove
+ yum -y clean all
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/omb/Singularity.omb-5.6.3-centos-7.8.2003-openmpi-3.1.4 b/definition-files/omb/Singularity.omb-5.6.3-centos-7.8.2003-openmpi-3.1.4
new file mode 100644
index 0000000000000000000000000000000000000000..7671e8c442815e9e3d6f7a9b483c0b1040474799
--- /dev/null
+++ b/definition-files/omb/Singularity.omb-5.6.3-centos-7.8.2003-openmpi-3.1.4
@@ -0,0 +1,72 @@
+Bootstrap: shub
+From: mkandes/centos-openmpi:centos-7.8.2003-openmpi-3.1.4
+
+%labels
+
+ APPLICATION_NAME OSU Microbenchmarks
+ APPLICATION_VERSION 5.6.3
+ APPLICATION_URL http://mvapich.cse.ohio-state.edu/benchmarks
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200716
+
+%setup
+
+%environment
+
+ # Set paths to OSU Microbenchmarks binaries
+ export PATH="/opt/omb-5.6.3/collective:${PATH}"
+ export PATH="/opt/omb-5.6.3/one-sided:${PATH}"
+ export PATH="/opt/omb-5.6.3/pt2pt:${PATH}"
+ export PATH="/opt/omb-5.6.3/startup:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://mirror.centos.org/centos-7/7.8.2003/os/x86_64'
+
+ # Set operating system version
+ export OSVERSION='7'
+
+ # Set system locale
+ export LC_ALL=C
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+ # Update all software packages to their latest versions
+ yum -y check-update && yum -y update
+
+ cd /tmp
+
+ # Download, build, and install OSU Microbenchmarks
+ wget http://mvapich.cse.ohio-state.edu/download/mvapich/osu-micro-benchmarks-5.6.3.tar.gz
+ tar -xf osu-micro-benchmarks-5.6.3.tar.gz
+ cd osu-micro-benchmarks-5.6.3
+ ./configure --prefix='/opt/omb-5.6.3' CC='mpicc' CXX='mpicxx'
+ make
+ make install
+
+ # Reorganize OSU Microbenchmarks directory structure
+ cd /opt/omb-5.6.3
+ mv libexec/osu-micro-benchmarks/mpi/collective ./
+ mv libexec/osu-micro-benchmarks/mpi/one-sided ./
+ mv libexec/osu-micro-benchmarks/mpi/pt2pt ./
+ mv libexec/osu-micro-benchmarks/mpi/startup ./
+ rm -rf libexec
+
+ # Cleanup
+ package-cleanup -q --leaves | xargs -l1 yum -y remove
+ yum -y clean all
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-cuda-10.1.168-openmpi-3.1.4 b/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-cuda-10.1.168-openmpi-3.1.4
new file mode 100644
index 0000000000000000000000000000000000000000..79b4202761c87d0b1d334fdedea786540b048230
--- /dev/null
+++ b/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-cuda-10.1.168-openmpi-3.1.4
@@ -0,0 +1,80 @@
+Bootstrap: shub
+From: mkandes/ubuntu-cuda-openmpi:ubuntu-18.04-cuda-10.1.168-openmpi-3.1.4
+
+%labels
+
+ APPLICATION_NAME OSU Microbenchmarks
+ APPLICATION_VERSION 5.6.3
+ APPLICATION_URL http://mvapich.cse.ohio-state.edu/benchmarks
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200716
+
+%setup
+
+%environment
+
+ # Set paths to OSU Microbenchmarks binaries
+ export PATH="/opt/omb-5.6.3/collective:${PATH}"
+ export PATH="/opt/omb-5.6.3/one-sided:${PATH}"
+ export PATH="/opt/omb-5.6.3/pt2pt:${PATH}"
+ export PATH="/opt/omb-5.6.3/startup:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_HOME='/usr/local/cuda-10.1'
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /tmp
+
+ # Download, build, and install OSU Microbenchmarks
+ wget http://mvapich.cse.ohio-state.edu/download/mvapich/osu-micro-benchmarks-5.6.3.tar.gz
+ tar -xf osu-micro-benchmarks-5.6.3.tar.gz
+ cd osu-micro-benchmarks-5.6.3
+ ./configure --prefix='/opt/omb-5.6.3' CC='mpicc' CXX='mpicxx' --enable-cuda --with-cuda-include="${CUDA_HOME}/include" --with-cuda-libpath="${CUDA_HOME}/lib64"
+ make
+ make install
+
+ # Reorganize OSU Microbenchmarks directory structure
+ cd /opt/omb-5.6.3
+ mv libexec/osu-micro-benchmarks/mpi/collective ./
+ mv libexec/osu-micro-benchmarks/mpi/one-sided ./
+ mv libexec/osu-micro-benchmarks/mpi/pt2pt ./
+ mv libexec/osu-micro-benchmarks/mpi/startup ./
+ rm -rf libexec
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-mvapich-2.3.2 b/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-mvapich-2.3.2
new file mode 100644
index 0000000000000000000000000000000000000000..dd34d75ddd420aadc32ed42d358f269c1092438e
--- /dev/null
+++ b/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-mvapich-2.3.2
@@ -0,0 +1,75 @@
+Bootstrap: shub
+From: mkandes/ubuntu-mvapich:ubuntu-18.04-mvapich-2.3.2
+
+%labels
+
+ APPLICATION_NAME OSU Microbenchmarks
+ APPLICATION_VERSION 5.6.3
+ APPLICATION_URL http://mvapich.cse.ohio-state.edu/benchmarks
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200714
+
+%setup
+
+%environment
+
+ # Set paths to OSU Microbenchmarks binaries
+ export PATH="/opt/omb-5.6.3/collective:${PATH}"
+ export PATH="/opt/omb-5.6.3/one-sided:${PATH}"
+ export PATH="/opt/omb-5.6.3/pt2pt:${PATH}"
+ export PATH="/opt/omb-5.6.3/startup:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to MVAPICH2 binaries and libraries
+ export PATH="/opt/mvapich2-2.3.2/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/mvapich2-2.3.2/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /tmp
+
+ # Download, build, and install OSU Microbenchmarks
+ wget http://mvapich.cse.ohio-state.edu/download/mvapich/osu-micro-benchmarks-5.6.3.tar.gz
+ tar -xf osu-micro-benchmarks-5.6.3.tar.gz
+ cd osu-micro-benchmarks-5.6.3
+ ./configure --prefix='/opt/omb-5.6.3' CC='mpicc' CXX='mpicxx'
+ make
+ make install
+
+ # Reorganize OSU Microbenchmarks directory structure
+ cd /opt/omb-5.6.3
+ mv libexec/osu-micro-benchmarks/mpi/collective ./
+ mv libexec/osu-micro-benchmarks/mpi/one-sided ./
+ mv libexec/osu-micro-benchmarks/mpi/pt2pt ./
+ mv libexec/osu-micro-benchmarks/mpi/startup ./
+ rm -rf libexec
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-openmpi-3.1.4 b/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-openmpi-3.1.4
new file mode 100644
index 0000000000000000000000000000000000000000..a03d73bab9054da9dd39a01336df4619acd700d8
--- /dev/null
+++ b/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-openmpi-3.1.4
@@ -0,0 +1,75 @@
+Bootstrap: shub
+From: mkandes/ubuntu-openmpi:ubuntu-18.04-openmpi-3.1.4
+
+%labels
+
+ APPLICATION_NAME OSU Microbenchmarks
+ APPLICATION_VERSION 5.6.3
+ APPLICATION_URL http://mvapich.cse.ohio-state.edu/benchmarks
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200711
+
+%setup
+
+%environment
+
+ # Set paths to OSU Microbenchmarks binaries
+ export PATH="/opt/omb-5.6.3/collective:${PATH}"
+ export PATH="/opt/omb-5.6.3/one-sided:${PATH}"
+ export PATH="/opt/omb-5.6.3/pt2pt:${PATH}"
+ export PATH="/opt/omb-5.6.3/startup:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /tmp
+
+ # Download, build, and install OSU Microbenchmarks
+ wget http://mvapich.cse.ohio-state.edu/download/mvapich/osu-micro-benchmarks-5.6.3.tar.gz
+ tar -xf osu-micro-benchmarks-5.6.3.tar.gz
+ cd osu-micro-benchmarks-5.6.3
+ ./configure --prefix='/opt/omb-5.6.3' CC='mpicc' CXX='mpicxx'
+ make
+ make install
+
+ # Reorganize OSU Microbenchmarks directory structure
+ cd /opt/omb-5.6.3
+ mv libexec/osu-micro-benchmarks/mpi/collective ./
+ mv libexec/osu-micro-benchmarks/mpi/one-sided ./
+ mv libexec/osu-micro-benchmarks/mpi/pt2pt ./
+ mv libexec/osu-micro-benchmarks/mpi/startup ./
+ rm -rf libexec
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-openmpi-3.1.6 b/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-openmpi-3.1.6
new file mode 100644
index 0000000000000000000000000000000000000000..1e649de37d2738eb762884369d772d826417d40c
--- /dev/null
+++ b/definition-files/omb/Singularity.omb-5.6.3-ubuntu-18.04-openmpi-3.1.6
@@ -0,0 +1,90 @@
+Bootstrap: shub
+From: mkandes/ubuntu-openmpi:ubuntu-18.04-openmpi-3.1.6
+
+%labels
+
+ APPLICATION_NAME OSU Microbenchmarks
+ APPLICATION_VERSION 5.6.3
+ APPLICATION_URL http://mvapich.cse.ohio-state.edu/benchmarks
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200711
+
+%setup
+
+%environment
+
+ # Set paths to OSU Microbenchmarks binaries
+ export PATH="/opt/omb-5.6.3/collective:${PATH}"
+ export PATH="/opt/omb-5.6.3/one-sided:${PATH}"
+ export PATH="/opt/omb-5.6.3/pt2pt:${PATH}"
+ export PATH="/opt/omb-5.6.3/startup:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set Mellanox OFED version number, operating system, and hardware
+ # platform
+ export MLNX_OFED_VERSION='4.7-3.2.9.0'
+ export MLNX_OS_VERSION='ubuntu18.04'
+ export MLNX_PLATFORM='x86_64'
+
+ # Set OpenMPI major, minor, and revision versions, root and
+ # installation directories
+ export OPENMPI_MAJOR_VERSION=3
+ export OPENMPI_MINOR_VERSION=1
+ export OPENMPI_REVISION_VERSION=6
+ export OPENMPI_VERSION="${OPENMPI_MAJOR_VERSION}.${OPENMPI_MINOR_VERSION}.${OPENMPI_REVISION_VERSION}"
+ export OPENMPI_ROOT_DIR='/opt/openmpi'
+ export OPENMPI_INSTALL_DIR="${OPENMPI_ROOT_DIR}/${OPENMPI_VERSION}"
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="${OPENMPI_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${OPENMPI_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /tmp
+
+ # Download, build, and install OSU Microbenchmarks
+ wget http://mvapich.cse.ohio-state.edu/download/mvapich/osu-micro-benchmarks-5.6.3.tar.gz
+ tar -xf osu-micro-benchmarks-5.6.3.tar.gz
+ cd osu-micro-benchmarks-5.6.3
+ ./configure --prefix='/opt/omb-5.6.3' CC='mpicc' CXX='mpicxx'
+ make
+ make install
+
+ # Reorganize OSU Microbenchmarks directory structure
+ cd /opt/omb-5.6.3
+ mv libexec/osu-micro-benchmarks/mpi/collective ./
+ mv libexec/osu-micro-benchmarks/mpi/one-sided ./
+ mv libexec/osu-micro-benchmarks/mpi/pt2pt ./
+ mv libexec/osu-micro-benchmarks/mpi/startup ./
+ rm -rf libexec
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/paraview/Singularity.paraview-5.8.1-ubuntu-18.04-openmpi-3.1.4-osmesa-20.1.5 b/definition-files/paraview/Singularity.paraview-5.8.1-ubuntu-18.04-openmpi-3.1.4-osmesa-20.1.5
new file mode 100644
index 0000000000000000000000000000000000000000..f8a41d349035c0946ca6e2384da0b9cf86787192
--- /dev/null
+++ b/definition-files/paraview/Singularity.paraview-5.8.1-ubuntu-18.04-openmpi-3.1.4-osmesa-20.1.5
@@ -0,0 +1,260 @@
+Bootstrap: shub
+From: mkandes/ubuntu-openmpi:ubuntu-18.04-openmpi-3.1.4
+
+%labels
+
+ APPLICATION_NAME Paraview
+ APPLICATION_VERSION 5.8.1
+ APPLICATION_URL https://www.paraview.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200830
+
+%setup
+
+%environment
+
+ # Set LLVM version number, root and installation directories
+ export LLVM_VERSION='10.0.1'
+ export LLVM_ROOT_DIR='/opt/llvm'
+ export LLVM_INSTALL_DIR="${LLVM_ROOT_DIR}/${LLVM_VERSION}"
+
+ # Set paths to LLVM binaries and libraries
+ export PATH="${LLVM_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${LLVM_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Set OSMESA version number, root and installation directories
+ export OSMESA_VERSION='20.1.5'
+ export OSMESA_ROOT_DIR='/opt/osmesa'
+ export OSMESA_INSTALL_DIR="${OSMESA_ROOT_DIR}/${OSMESA_VERSION}"
+
+ # Set path to OSMESA library
+ export LD_LIBRARY_PATH="${OSMESA_INSTALL_DIR}/lib/x86_64-linux-gnu:${LD_LIBRARY_PATH}"
+
+ # Set git-lfs version number, root and installation directories
+ export GIT_LFS_VERSION='2.11.0'
+ export GIT_LFS_ROOT_DIR='/opt/git-lfs'
+ export GIT_LFS_INSTALL_DIR="${GIT_LFS_ROOT_DIR}/${GIT_LFS_VERSION}"
+
+ # Set path to git-lfs binary
+ export PATH="${GIT_LFS_ROOT_DIR}/${GIT_LFS_VERSION}/bin:${PATH}"
+
+ # Set Paraview version number, root and installation directories
+ export PARAVIEW_VERSION='5.8.1'
+ export PARAVIEW_ROOT_DIR='/opt/paraview'
+ export PARAVIEW_INSTALL_DIR="${PARAVIEW_ROOT_DIR}/${PARAVIEW_VERSION}"
+
+ # Set paths to Paraview binaries, libraries, and supporting python packages
+ export PATH="${PARAVIEW_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${PARAVIEW_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+ export PYTHONPATH="${PARAVIEW_INSTALL_DIR}/lib:${PARAVIEW_INSTALL_DIR}/lib/python3.6/site-packages:${PYTHONPATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /tmp
+
+ # Install dependencies and prerequisites for meson
+ apt-get -y install python3
+ apt-get -y install python3-dev
+ apt-get -y install python3-pip
+ apt-get -y install python3-setuptools
+ apt-get -y install python3-wheel
+ apt-get -y install ninja-build
+
+ # Install meson
+ pip3 install meson
+
+ # Install dependencies and prerequisites for OSMesa
+ apt-get -y install bison
+ apt-get -y install clang
+ apt-get -y install cmake
+ apt-get -y install flex
+ apt-get -y install gcc
+ apt-get -y install python3-mako
+
+ # Set LLVM version number, root and installation directories
+ export LLVM_VERSION='10.0.1'
+ export LLVM_ROOT_DIR='/opt/llvm'
+ export LLVM_INSTALL_DIR="${LLVM_ROOT_DIR}/${LLVM_VERSION}"
+
+ # Download, build, and install a newer version of Clang/LLVM
+ export LLVM_VERSION='10.0.1'
+ export LLVM_ROOT_DIR='/opt/llvm'
+ export LLVM_INSTALL_DIR="${LLVM_ROOT_DIR}/${LLVM_VERSION}"
+ git clone https://github.com/llvm/llvm-project.git
+ cd llvm-project
+ git checkout "llvmorg-${LLVM_VERSION}"
+ mkdir build
+ cd build
+ cmake -GNinja \
+ -DCMAKE_BUILD_TYPE='Release' \
+ -DCMAKE_INSTALL_PREFIX="${LLVM_INSTALL_DIR}" \
+ -DLLVM_ENABLE_PROJECTS='clang;libcxx;libcxxabi' \
+ -DBUILD_SHARED_LIBS='ON' \
+ -DLLVM_BUILD_LLVM_DYLIB='ON' \
+ -DLLVM_ENABLE_RTTI='ON' \
+ -DLLVM_INSTALL_UTILS='ON' \
+ -DLLVM_TARGETS_TO_BUILD='X86' \
+ ../llvm
+ ninja
+ ninja install
+
+ # Set paths to LLVM binaries and libraries
+ export PATH="${LLVM_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${LLVM_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ cd /tmp
+
+ # Remove LLVM build directory
+ rm -rf llvm-project
+
+ # Set OSMESA version number, root and installation directories
+ export OSMESA_VERSION='20.1.5'
+ export OSMESA_ROOT_DIR='/opt/osmesa'
+ export OSMESA_INSTALL_DIR="${OSMESA_ROOT_DIR}/${OSMESA_VERSION}"
+
+ # Download, build, and install OSMesa
+ wget "https://archive.mesa3d.org//mesa-${OSMESA_VERSION}.tar.xz"
+ tar -xf "mesa-${OSMESA_VERSION}.tar.xz"
+ cd "mesa-${OSMESA_VERSION}"
+ mkdir build
+ meson --buildtype=release \
+ -Dprefix="${OSMESA_INSTALL_DIR}" \
+ -Dopengl='true' \
+ -Dgles1='false' \
+ -Dgles2='false' \
+ -Dgallium-omx='disabled' \
+ -Dgallium-va='false' \
+ -Dgallium-xa='false' \
+ -Dgallium-xvmc='false' \
+ -Dgallium-vdpau='false' \
+ -Dshared-glapi='true' \
+ -Dllvm='true' \
+ -Dshared-llvm='true' \
+ -Dosmesa='gallium' \
+ -Dgallium-drivers='swrast,swr' \
+ -Ddri3='false' \
+ -Ddri-drivers=[] \
+ -Degl='false' \
+ -Dplatforms=[] \
+ -Dgbm='false' \
+ -Dglx='disabled' \
+ -Dvulkan-drivers=[] \
+ -Dshader-cache='auto' \
+ build
+ ninja -C build
+ meson install -C build
+
+ # Set path to OSMESA library
+ export LD_LIBRARY_PATH="${OSMESA_INSTALL_DIR}/lib/x86_64-linux-gnu:${LD_LIBRARY_PATH}"
+
+ cd /tmp
+
+ # Remove OSMESA build directory and source tarball
+ rm -rf "mesa-${OSMESA_VERSION}"
+ rm "mesa-${OSMESA_VERSION}.tar.gz"
+
+ # Install dependencies and prerequisites required for Paraview
+ apt-get -y install cmake
+ apt-get -y install ffmpeg
+ apt-get -y install python3-dev
+ apt-get -y install python3-numpy
+ apt-get -y install python3-matplotlib
+ apt-get -y install python3-scipy
+ apt-get -y install libtbb-dev
+
+ # Set git-lfs version number, root and installation directories
+ export GIT_LFS_VERSION='2.11.0'
+ export GIT_LFS_ROOT_DIR='/opt/git-lfs'
+ export GIT_LFS_INSTALL_DIR="${GIT_LFS_ROOT_DIR}/${GIT_LFS_VERSION}"
+ export GIT_LFS_ROOT_URL='https://github.com/git-lfs/git-lfs/releases/download'
+
+ # Download and install git-lfs, which is a prerequiste for VTK-m
+ mkdir -p "${GIT_LFS_ROOT_DIR}/${GIT_LFS_VERSION}"
+ cd "${GIT_LFS_ROOT_DIR}/${GIT_LFS_VERSION}"
+ wget "${GIT_LFS_ROOT_URL}/v${GIT_LFS_VERSION}/git-lfs-linux-amd64-v${GIT_LFS_VERSION}.tar.gz"
+ tar -xf "git-lfs-linux-amd64-v${GIT_LFS_VERSION}.tar.gz"
+ ./install.sh
+
+ # Set path to git-lfs binary
+ export PATH="${GIT_LFS_ROOT_DIR}/${GIT_LFS_VERSION}/bin:${PATH}"
+
+ cd /tmp
+
+ # Set Paraview version number, root and installation directories
+ export PARAVIEW_VERSION='5.8.1'
+ export PARAVIEW_ROOT_DIR='/opt/paraview'
+ export PARAVIEW_INSTALL_DIR="${PARAVIEW_ROOT_DIR}/${PARAVIEW_VERSION}"
+
+ # Download, build, and install Paraview
+ git clone https://gitlab.kitware.com/paraview/paraview.git
+ cd paraview
+ git checkout v5.8.1
+ git submodule update --init --recursive
+ cd ../
+ mkdir build
+ cd build
+ cmake -GNinja \
+ -DCMAKE_BUILD_TYPE=Release \
+ -DCMAKE_INSTALL_PREFIX='/opt/paraview/5.8.1' \
+ -DPARAVIEW_BUILD_EDITION='CANONICAL' \
+ -DPARAVIEW_BUILD_SHARED_LIBS=ON \
+ -DPARAVIEW_USE_PYTHON=ON \
+ -DPARAVIEW_USE_MPI=ON \
+ -DPARAVIEW_USE_QT=OFF \
+ -DVTK_USE_X=OFF \
+ -DVTK_OPENGL_HAS_OSMESA=ON \
+ -DOSMESA_INCLUDE_DIR='/opt/osmesa/20.1.5/include' \
+ -DOSMESA_LIBRARY='/opt/osmesa/20.1.5/lib/x86_64-linux-gnu/libOSMesa.so' \
+ -DVTK_DEFAULT_RENDER_WINDOW_OFFSCREEN=ON \
+ -DVTK_OPENGL_USE_GLES=OFF \
+ -DVTK_OPENGL_HAS_EGL=OFF \
+ -DVTK_SMP_IMPLEMENTATION_TYPE=TBB \
+ ../paraview
+ ninja
+ ninja install
+
+ # Set paths to Paraview binaries, libraries, and supporting python packages
+ export PATH="${PARAVIEW_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${PARAVIEW_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+ export PYTHONPATH="${PARAVIEW_INSTALL_DIR}/lib:${PARAVIEW_INSTALL_DIR}/lib/python3.6/site-packages:${PYTHONPATH}"
+
+ cd /tmp
+
+ # Remove Paraview build and source directories
+ rm -rf build
+ rm -rf paraview
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/pytorch/Singularity.pytorch-1.5.0 b/definition-files/pytorch/Singularity.pytorch-1.5.0
new file mode 100644
index 0000000000000000000000000000000000000000..ab3984060ddc3bbbe12fbd69f943608a7901a18d
--- /dev/null
+++ b/definition-files/pytorch/Singularity.pytorch-1.5.0
@@ -0,0 +1,190 @@
+Bootstrap: shub
+From: mkandes/ubuntu-cuda-openmpi:latest
+
+%labels
+
+ APPLICATION_NAME pytorch
+ APPLICATION_VERSION 1.5.0
+ APPLICATION_URL https://pytorch.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200511
+
+%setup
+
+%environment
+
+ # Set default miniconda environment
+ export PATH="/opt/miniconda3/bin:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_HOME='/usr/local/cuda-10.1'
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+ # Set paths to OSU Microbenchmarks binaries
+ export PATH="/opt/omb-5.6.2/collective:${PATH}"
+ export PATH="/opt/omb-5.6.2/one-sided:${PATH}"
+ export PATH="/opt/omb-5.6.2/pt2pt:${PATH}"
+ export PATH="/opt/omb-5.6.2/startup:${PATH}"
+
+ # Upgrade all packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install miniconda3
+ wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh
+ chmod +x Miniconda3-latest-Linux-x86_64.sh
+ ./Miniconda3-latest-Linux-x86_64.sh -b -p /opt/miniconda3
+
+ # Setup conda environment
+ export PATH="/opt/miniconda3/bin:${PATH}"
+ export CMAKE_PREFIX_PATH=${CONDA_PREFIX:-"$(dirname $(which conda))/../"}
+
+ # Install common python packages
+ conda install -y jupyterlab
+ conda install -y numpy
+ conda install -y matplotlib
+ conda install -y pandas
+ conda install -y plotly
+ conda install -y scipy
+ conda install -y scikit-learn
+ conda install -y scikit-image
+ conda install -y seaborn
+ conda install -y statsmodels
+ conda install -y opencv
+
+ # Install GPU-accelerated python packages
+ conda install -y numba
+
+ # Install additional python packages
+ conda install -y astropy
+ conda install -y biopython
+ conda install -y h5py
+ conda install -y nltk
+ conda install -y sympy
+
+ # Install PyTorch dependencies
+ conda install -y numpy
+ conda install -y ninja
+ conda install -y pyyaml
+ conda install -y mkl
+ conda install -y mkl-include
+ conda install -y setuptools
+ conda install -y cmake
+ conda install -y cffi
+ conda install -y spacy -c conda-forge
+ #conda install -y sox -c conda-forge
+ apt-get -y install libsox-dev
+
+ # Add LAPACK support for the GPU
+ conda install -y magma-cuda101 -c pytorch
+
+ cd /opt
+
+ # Download, build, and install PyTorch
+ git clone --recursive https://github.com/pytorch/pytorch
+ mv pytorch pytorch-1.5.0
+ cd pytorch-1.5.0
+ git checkout v1.5.0
+ git submodule sync
+ git submodule update --init --recursive
+
+ export CC='mpicc'
+ export CXX='mpicxx'
+ export CFLAGS='-mtune=generic'
+
+ export BLAS='MKL'
+ export USE_FBGEMM=1
+ export USE_MKLDNN=1
+ export USE_NNPACK=1
+ export USE_NUMPY=1
+ export USE_QNNPACK=1
+
+ export USE_DISTRIBUTED=1
+ export USE_IBVERBS=1
+ export USE_GLOO=1
+ export USE_MPI=1
+ export USE_C10D_MPI=1
+ export USE_NCCL=1
+ export USE_SYSTEM_NCCL=1
+ sed -i '77,80 s/^/#/' cmake/Modules/FindNCCL.cmake
+
+ export USE_OPENMP=1
+ export ATEN_THREADING='OMP'
+ export MKL_THREADING='OMP'
+
+ export TORCH_CUDA_ARCH_LIST='3.0;3.5;3.7;5.2;6.0;6.1;7.0;7.5'
+ export USE_CUDA=1
+ export USE_CUDNN=1
+
+ export USE_FFMPEG=0
+ export USE_OPENCV=1
+
+ python setup.py install
+
+ # Download and install vision package for PyTorch
+ git clone https://github.com/pytorch/vision.git
+ cd vision
+ git checkout v0.6.0
+ python setup.py install
+
+ cd ../
+
+ # Download and install text package for PyTorch
+ git clone https://github.com/pytorch/text.git
+ cd text
+ git checkout 0.6.0
+ python setup.py install
+
+ cd ../
+
+ # Download and install audio package for PyTorch
+ git clone https://github.com/pytorch/audio.git
+ cd audio
+ git checkout v0.5.0
+ python setup.py install
+
+ cd ../
+
+ # Download examples for PyTorch
+ git clone https://github.com/pytorch/examples.git
+
+ # Install fastai for PyTorch
+ git clone https://github.com/fastai/fastai
+ cd fastai
+ git checkout 1.0.61
+ tools/run-after-git-clone
+ pip install -e ".[dev]"
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/stream/Singularity.stream-5.10-ubuntu-18.04 b/definition-files/stream/Singularity.stream-5.10-ubuntu-18.04
new file mode 100644
index 0000000000000000000000000000000000000000..1dc0f759d586bcef2884880ff2fcb9115275df54
--- /dev/null
+++ b/definition-files/stream/Singularity.stream-5.10-ubuntu-18.04
@@ -0,0 +1,92 @@
+Bootstrap: shub
+From: mkandes/ubuntu:ubuntu-18.04
+
+%labels
+
+ APPLICATION_NAME stream
+ APPLICATION_VERSION 5.10
+ APPLICATION_URL http://www.cs.virginia.edu/stream
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200831
+
+%setup
+
+%environment
+
+ # Set STREAM version number, root and installation directories
+ export STREAM_VERSION='5.10'
+ export STREAM_ROOT_DIR='/opt/stream'
+ export STREAM_INSTALL_DIR="${STREAM_ROOT_DIR}/${STREAM_VERSION}"
+
+ # Set path to stream binary
+ export PATH="${STREAM_INSTALL_DIR}/bin:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ cd /opt
+
+ # Set STREAM version number, root and installation directories
+ export STREAM_VERSION='5.10'
+ export STREAM_ROOT_DIR='/opt/stream'
+ export STREAM_INSTALL_DIR="${STREAM_ROOT_DIR}/${STREAM_VERSION}"
+
+ # Download, build, and install STREAM
+ mkdir -p "${STREAM_INSTALL_DIR}/bin"
+ cd "${STREAM_INSTALL_DIR}"
+ wget -r -np -nH --cut-dirs=1 --reject "index.html*" \
+ "http://www.cs.virginia.edu/stream/FTP/Code/"
+
+ STREAM_ARRAY_SIZE_EXPONENT_BEGIN=13
+ STREAM_ARRAY_SIZE_EXPONENT_END=36
+ for (( n = "${STREAM_ARRAY_SIZE_EXPONENT_BEGIN}"; \
+ n <= "${STREAM_ARRAY_SIZE_EXPONENT_END}"; \
+ n++ )); do
+ STREAM_ARRAY_SIZES+=("$((2**${n}))")
+ done
+
+ STREAM_NTIMES=100
+ STREAM_OFFSET=0
+
+ for STREAM_ARRAY_SIZE in "${STREAM_ARRAY_SIZES[@]}"; do
+ gcc -Ofast -march=native -fopenmp -mcmodel=large \
+ -DSTREAM_ARRAY_SIZE="${STREAM_ARRAY_SIZE}" \
+ -DNTIMES="${STREAM_NTIMES}" \
+ -DOFFSET="${STREAM_OFFSET}" \
+ -o stream_omp."${STREAM_ARRAY_SIZE}.x" FTP/Code/stream.c
+ done
+
+ mv *.x "${STREAM_INSTALL_DIR}/bin"
+
+ # Set path to stream binary
+ export PATH="${STREAM_INSTALL_DIR}/bin:${PATH}"
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/tensorflow/Singularity.tensorflow-2.3.0 b/definition-files/tensorflow/Singularity.tensorflow-2.3.0
new file mode 100644
index 0000000000000000000000000000000000000000..36106d7386569e6e34f5df58987865fab987b60c
--- /dev/null
+++ b/definition-files/tensorflow/Singularity.tensorflow-2.3.0
@@ -0,0 +1,213 @@
+Bootstrap: shub
+From: mkandes/ubuntu-cuda-openmpi:latest
+
+%labels
+
+ APPLICATION_NAME tensorflow
+ APPLICATION_VERSION 2.3.0
+ APPLICATION_URL https://www.tensorflow.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20201202
+
+%setup
+
+%environment
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_VERSION='10.1'
+ export CUDA_HOME="/usr/local/cuda-${CUDA_VERSION}"
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+ # Set paths to OpenMPI binaries and libraries
+ export OPENMPI_VERSION='3.1.4'
+ export OPENMPI_ROOT_DIR="/opt/openmpi-${OPENMPI_VERSION}"
+ export OPENMPI_INSTALL_DIR="${OPENMPI_ROOT_DIR}"
+ export PATH="${OPENMPI_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${OPENMPI_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Set path to Bazel binary and libraries
+ export BAZEL_VERSION='3.5.0'
+ export BAZEL_ROOT_DIR='/opt/bazel'
+ export BAZEL_INSTALL_DIR="${BAZEL_ROOT_DIR}/${BAZEL_VERSION}"
+ export PATH="${BAZEL_INSTALL_DIR}/output:${PATH}"
+
+ # Set TensorFlow version number, root and install directories
+ export TENSORFLOW_VERSION='2.3.0'
+ export TENSORFLOW_ROOT_DIR='/opt/tensorflow'
+ export TENSORFLOW_INSTALL_DIR="${TENSORFLOW_ROOT_DIR}/${TENSORFLOW_VERSION}"
+
+ export PYTHONPATH="${TENSORFLOW_INSTALL_DIR}/models:${PYTHONPATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_VERSION='10.1'
+ export CUDA_HOME="/usr/local/cuda-${CUDA_VERSION}"
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+ # Set paths to OpenMPI binaries and libraries
+ export OPENMPI_VERSION='3.1.4'
+ export OPENMPI_ROOT_DIR="/opt/openmpi-${OPENMPI_VERSION}"
+ export OPENMPI_INSTALL_DIR="${OPENMPI_ROOT_DIR}"
+ export PATH="${OPENMPI_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${OPENMPI_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+ # Upgrade all packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install python3 and some common core packages
+ apt-get -y install python3-dev
+ apt-get -y install python3-pip
+ apt-get -y install python3-setuptools
+ apt-get -y install python3-virtualenv
+
+ # Install Bazel dependencies and prerequisites
+ apt-get -y install g++
+ apt-get -y install unzip
+ apt-get -y install zip
+ apt-get -y install git
+ apt-get -y install openjdk-11-jdk
+
+ # Set Bazel version number, root and installation directories
+ export BAZEL_VERSION='3.5.0'
+ export BAZEL_ROOT_DIR='/opt/bazel'
+ export BAZEL_INSTALL_DIR="${BAZEL_ROOT_DIR}/${BAZEL_VERSION}"
+
+ # Download, build, and install Bazel
+ mkdir -p "${BAZEL_INSTALL_DIR}"
+ cd "${BAZEL_INSTALL_DIR}"
+ wget "https://github.com/bazelbuild/bazel/releases/download/${BAZEL_VERSION}/bazel-${BAZEL_VERSION}-dist.zip"
+ unzip -o "bazel-${BAZEL_VERSION}-dist.zip"
+ export EXTRA_BAZEL_ARGS="--host_javabase=@local_jdk//:jdk"
+ rm /usr/bin/python
+ ln -s /usr/bin/python3 /usr/bin/python
+ ./compile.sh
+
+ # Set path to Bazel
+ export PATH="${BAZEL_INSTALL_DIR}/output:${PATH}"
+
+ # Install common mathematical and scientific python3 packages
+ apt-get -y install python3-numpy
+ apt-get -y install python3-scipy
+ apt-get -y install python3-pandas
+ apt-get -y install python3-sklearn
+ apt-get -y install python3-skimage
+ apt-get -y install python3-statsmodels
+ apt-get -y install python3-matplotlib
+ apt-get -y install python3-plotly
+ apt-get -y install python3-seaborn
+ apt-get -y install python3-opencv
+ apt-get -y install python3-astropy
+ apt-get -y install python3-biopython
+ apt-get -y install python3-h5py
+ apt-get -y install python3-nltk
+ apt-get -y install python3-sympy
+ apt-get -y install python3-netcdf4
+
+ # Install JupyterLab
+ apt-get -y install jupyter
+ pip3 install jupyterlab
+
+ # Install additioanl dependencies for TensorFlow
+ apt-get -y install python3-six
+ apt-get -y install python3-wheel
+ apt-get -y install python3-mock
+ apt-get -y install python3-future
+
+ pip3 install keras_applications --no-deps
+ pip3 install keras_preprocessing --no-deps
+
+ # Set TensorFlow version number, root and install directories
+ export TENSORFLOW_VERSION='2.3.0'
+ export TENSORFLOW_ROOT_DIR='/opt/tensorflow'
+ export TENSORFLOW_INSTALL_DIR="${TENSORFLOW_ROOT_DIR}/${TENSORFLOW_VERSION}"
+
+ # Download, build, and install TensorFlow
+ mkdir -p "${TENSORFLOW_INSTALL_DIR}"
+ cd "${TENSORFLOW_INSTALL_DIR}"
+ git clone https://github.com/tensorflow/tensorflow.git
+ cd tensorflow
+ git checkout "v${TENSORFLOW_VERSION}"
+
+ export PYTHON_BIN_PATH='/usr/bin/python3'
+ export PYTHON_LIB_PATH='/usr/local/lib/python3.6/dist-packages'
+ export TF_ENABLE_XLA=1
+ export TF_NEED_OPENCL_SYCL=0
+ export TF_NEED_ROCM=0
+ export TF_NEED_CUDA=1
+ export TF_NEED_TENSORRT=0
+ #export TF_CUDA_COMPUTE_CAPABILITIES='3.5,3.7,5.2,6.0,6.1,7.0,7.5'
+ export TF_CUDA_COMPUTE_CAPABILITIES='3.7,6.0,7.0'
+ export TF_CUDA_CLANG=0
+ export TF_NEED_MPI=1
+ export MPI_HOME="${OPENMPI_INSTALL_DIR}"
+ export CC_OPT_FLAGS='-mtune=generic'
+ export TF_SET_ANDROID_WORKSPACE=0
+
+ #bazel build --local_ram_resources 2048 --local_cpu_resources 1 -c opt --config=cuda --config=numa --config=v2 --verbose_failures //tensorflow/tools/pip_package:build_pip_package
+ bazel build -c opt --config=cuda --config=numa --config=v2 --verbose_failures //tensorflow/tools/pip_package:build_pip_package
+ bazel-bin/tensorflow/tools/pip_package/build_pip_package tensorflow_pkg
+ pip3 install tensorflow_pkg/tensorflow-2.3.0-cp36-cp36m-linux_x86_64.whl
+
+ cd "${TENSORFLOW_INSTALL_DIR}"
+
+ # Download, build and install TensorFlow Addons
+ git clone https://github.com/tensorflow/addons.git
+ cd addons
+ git checkout v0.11.2
+
+ export TF_NEED_CUDA=1
+ export TF_CUDA_VERSION="${CUDA_VERSION}"
+ export TF_CUDNN_VERSION=7
+ export CUDA_TOOLKIT_PATH="${CUDA_HOME}"
+ export CUDNN_INSTALL_PATH='/usr/lib/x86_64-linux-gnu'
+
+ python3 ./configure.py
+
+ rm /usr/bin/python
+ ln -s /usr/bin/python3 /usr/bin/python
+
+ bazel build --enable_runfiles build_pip_pkg
+ bazel-bin/build_pip_pkg artifacts
+ pip3 install artifacts/tensorflow_addons-*.whl
+
+ cd "${TENSORFLOW_INSTALL_DIR}"
+
+ # Download and install TensorFlow Models
+ git clone https://github.com/tensorflow/models.git
+ cd models
+ git checkout "v${TENSORFLOW_VERSION}"
+ export PYTHONPATH="${TENSORFLOW_INSTALL_DIR}/models:${PYTHONPATH}"
+ sed -i 's/kaggle>=1.3.9/#kaggle>=1.3.9/' official/requirements.txt
+ pip3 install scikit-build
+ pip3 install -r official/requirements.txt
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/ubuntu/Singularity.ubuntu-18.04 b/definition-files/ubuntu/Singularity.ubuntu-18.04
new file mode 100644
index 0000000000000000000000000000000000000000..6ac8025a0f1875e17434b5a858b2d432a5bf2072
--- /dev/null
+++ b/definition-files/ubuntu/Singularity.ubuntu-18.04
@@ -0,0 +1,98 @@
+Bootstrap: debootstrap
+MirrorURL: http://us.archive.ubuntu.com/ubuntu
+OSVersion: bionic
+
+%labels
+
+ APPLICATION_NAME ubuntu
+ APPLICATION_VERSION 18.04
+ APPLICATION_URL https://www.ubuntu.com
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200809
+
+%setup
+
+%environment
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL=C
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Install system metapackages
+ apt-get -y install ubuntu-standard
+ apt-get -y install ubuntu-server
+
+ # Add repositories
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION} main"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION} universe"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION} multiverse"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION} restricted"
+
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-updates main"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-updates universe"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-updates multiverse"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-updates restricted"
+
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-backports main"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-backports universe"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-backports multiverse"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-backports restricted"
+
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-security main"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-security universe"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-security multiverse"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-security restricted"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install common packages from 'main'
+ apt-get -y install autoconf
+ apt-get -y install automake
+ apt-get -y install build-essential
+ apt-get -y install cmake
+ apt-get -y install expect
+ apt-get -y install gfortran
+ apt-get -y install libtool
+ apt-get -y install mlocate
+ apt-get -y install pkg-config
+ apt-get -y install wget
+ apt-get -y install zip
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/ubuntu/Singularity.ubuntu-18.04-cuda-10.1.168 b/definition-files/ubuntu/Singularity.ubuntu-18.04-cuda-10.1.168
new file mode 100644
index 0000000000000000000000000000000000000000..25f4f59d6d92e40ff9066a13aed6f2e0024d0c66
--- /dev/null
+++ b/definition-files/ubuntu/Singularity.ubuntu-18.04-cuda-10.1.168
@@ -0,0 +1,475 @@
+Bootstrap: shub
+From: mkandes/ubuntu:ubuntu-18.04
+
+%labels
+
+ APPLICATION_NAME ubuntu + cuda
+ APPLICATION_VERSION 18.04 + 10.1.168
+ APPLICATION_URL https://developer.nvidia.com/cuda-zone
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200714
+
+%setup
+
+%environment
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_HOME='/usr/local/cuda-10.1'
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Location of NVIDIA repositories
+ export NVIDIA_ROOT_URL='http://developer.download.nvidia.com/compute'
+ export CUDA_REPO_URL="${NVIDIA_ROOT_URL}/cuda/repos/ubuntu1804/x86_64"
+ export ML_REPO_URL="${NVIDIA_ROOT_URL}/machine-learning/repos/ubuntu1804/x86_64"
+
+ # Install NVIDIA package dependencies
+ apt-get -y install x11-common
+ apt-get -y install xserver-xorg-core
+ apt-get -y install xserver-xorg-legacy
+ apt-get -y install cmake
+ apt-get -y install make
+ apt-get -y install dkms
+ apt-get -y install linux-libc-dev
+ apt-get -y install libc6-dev
+ apt-get -y install lib32gcc1
+ apt-get -y install libc6-i386
+ apt-get -y install libgl1
+ apt-get -y install libwayland-client0
+ apt-get -y install libwayland-server0
+ apt-get -y install pkg-config
+ apt-get -y install screen-resolution-extra
+ apt-get -y install libvdpau1
+ apt-get -y install libatk1.0-0
+ apt-get -y install libcairo-gobject2
+ apt-get -y install libcairo2
+ apt-get -y install libfontconfig1
+ apt-get -y install libgdk-pixbuf2.0-0
+ apt-get -y install libgtk-3-0
+ apt-get -y install libgtk2.0-0
+ apt-get -y install libjansson4
+ apt-get -y install freeglut3-dev
+ apt-get -y install libx11-dev
+ apt-get -y install libxmu-dev
+ apt-get -y install libxi-dev
+ apt-get -y install libglu1-mesa
+ apt-get -y install libglu1-mesa-dev
+ apt-get -y install default-jre
+
+ cd /tmp
+
+ # Fix for "update-alternatives: error: error creating symbolic link '/usr/lib/nvidia/alternate-install-present.dpkg-tmp': No such file or directory"
+ mkdir -p /usr/lib/nvidia
+
+ # Download and install NVIDIA/CUDA drivers, libraries, and packages
+ wget -N --wait=10 "${CUDA_REPO_URL}/libnvidia-common-440_440.33.01-0ubuntu1_all.deb"
+ dpkg -i libnvidia-common-440_440.33.01-0ubuntu1_all.deb
+ rm libnvidia-common-440_440.33.01-0ubuntu1_all.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libnvidia-compute-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i libnvidia-compute-440_440.33.01-0ubuntu1_amd64.deb
+ rm libnvidia-compute-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libnvidia-cfg1-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i libnvidia-cfg1-440_440.33.01-0ubuntu1_amd64.deb
+ rm libnvidia-cfg1-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libnvidia-decode-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i libnvidia-decode-440_440.33.01-0ubuntu1_amd64.deb
+ rm libnvidia-decode-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libnvidia-encode-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i libnvidia-encode-440_440.33.01-0ubuntu1_amd64.deb
+ rm libnvidia-encode-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libnvidia-fbc1-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i libnvidia-fbc1-440_440.33.01-0ubuntu1_amd64.deb
+ rm libnvidia-fbc1-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libnvidia-gl-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i libnvidia-gl-440_440.33.01-0ubuntu1_amd64.deb
+ rm libnvidia-gl-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libnvidia-ifr1-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i libnvidia-ifr1-440_440.33.01-0ubuntu1_amd64.deb
+ rm libnvidia-ifr1-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libxnvctrl0_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i libxnvctrl0_440.33.01-0ubuntu1_amd64.deb
+ rm libxnvctrl0_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libxnvctrl-dev_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i libxnvctrl-dev_440.33.01-0ubuntu1_amd64.deb
+ rm libxnvctrl-dev_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-kernel-source-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i nvidia-kernel-source-440_440.33.01-0ubuntu1_amd64.deb
+ rm nvidia-kernel-source-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-kernel-common-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i nvidia-kernel-common-440_440.33.01-0ubuntu1_amd64.deb
+ rm nvidia-kernel-common-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-dkms-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i nvidia-dkms-440_440.33.01-0ubuntu1_amd64.deb
+ rm nvidia-dkms-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-compute-utils-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i nvidia-compute-utils-440_440.33.01-0ubuntu1_amd64.deb
+ rm nvidia-compute-utils-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-utils-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i nvidia-utils-440_440.33.01-0ubuntu1_amd64.deb
+ rm nvidia-utils-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/xserver-xorg-video-nvidia-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i xserver-xorg-video-nvidia-440_440.33.01-0ubuntu1_amd64.deb
+ rm xserver-xorg-video-nvidia-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-driver-440_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i nvidia-driver-440_440.33.01-0ubuntu1_amd64.deb
+ rm nvidia-driver-440_440.33.01-0ubuntu1_amd64.deb
+
+ #wget -N --wait=10 "${CUDA_REPO_URL}/libnvidia-diagnostic-440_440.33.01-0ubuntu1_amd64.deb"
+ #dpkg -i libnvidia-diagnostic-440_440.33.01-0ubuntu1_amd64.deb
+ #rm libnvidia-diagnostic-440_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-modprobe_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i nvidia-modprobe_440.33.01-0ubuntu1_amd64.deb
+ rm nvidia-modprobe_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/nvidia-settings_440.33.01-0ubuntu1_amd64.deb"
+ dpkg -i nvidia-settings_440.33.01-0ubuntu1_amd64.deb
+ rm nvidia-settings_440.33.01-0ubuntu1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-drivers_440.33.01-1_amd64.deb"
+ dpkg -i cuda-drivers_440.33.01-1_amd64.deb
+ rm cuda-drivers_440.33.01-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-drivers-diagnostic_440.33.01-1_amd64.deb"
+ dpkg -i cuda-drivers-diagnostic_440.33.01-1_amd64.deb
+ rm cuda-drivers-diagnostic_440.33.01-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-compat-10-1_440.33.01-1_amd64.deb"
+ dpkg -i cuda-compat-10-1_440.33.01-1_amd64.deb
+ rm cuda-compat-10-1_440.33.01-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-license-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-license-10-1_10.1.168-1_amd64.deb
+ rm cuda-license-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-misc-headers-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-misc-headers-10-1_10.1.168-1_amd64.deb
+ rm cuda-misc-headers-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvcc-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvcc-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvcc-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cuobjdump-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cuobjdump-10-1_10.1.168-1_amd64.deb
+ rm cuda-cuobjdump-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvprune-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvprune-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvprune-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-compiler-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-compiler-10-1_10.1.168-1_amd64.deb
+ rm cuda-compiler-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cudart-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cudart-10-1_10.1.168-1_amd64.deb
+ rm cuda-cudart-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-driver-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-driver-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-driver-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cudart-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cudart-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-cudart-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvdisasm-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvdisasm-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvdisasm-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-gdb-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-gdb-10-1_10.1.168-1_amd64.deb
+ rm cuda-gdb-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvprof-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvprof-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvprof-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-memcheck-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-memcheck-10-1_10.1.168-1_amd64.deb
+ rm cuda-memcheck-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cupti-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cupti-10-1_10.1.168-1_amd64.deb
+ rm cuda-cupti-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-gpu-library-advisor-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-gpu-library-advisor-10-1_10.1.168-1_amd64.deb
+ rm cuda-gpu-library-advisor-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvtx-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvtx-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvtx-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-sanitizer-api-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-sanitizer-api-10-1_10.1.168-1_amd64.deb
+ rm cuda-sanitizer-api-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-command-line-tools-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-command-line-tools-10-1_10.1.168-1_amd64.deb
+ rm cuda-command-line-tools-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvrtc-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvrtc-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvrtc-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvrtc-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvrtc-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvrtc-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvml-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvml-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvml-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvgraph-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvgraph-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvgraph-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvgraph-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvgraph-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvgraph-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvjpeg-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvjpeg-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvjpeg-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvjpeg-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvjpeg-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvjpeg-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cusolver-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cusolver-10-1_10.1.168-1_amd64.deb
+ rm cuda-cusolver-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cusolver-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cusolver-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-cusolver-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcublas10_10.2.0.168-1_amd64.deb"
+ dpkg -i libcublas10_10.2.0.168-1_amd64.deb
+ rm libcublas10_10.2.0.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcublas-dev_10.2.0.168-1_amd64.deb"
+ dpkg -i libcublas-dev_10.2.0.168-1_amd64.deb
+ rm libcublas-dev_10.2.0.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cufft-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cufft-10-1_10.1.168-1_amd64.deb
+ rm cuda-cufft-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cufft-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cufft-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-cufft-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-curand-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-curand-10-1_10.1.168-1_amd64.deb
+ rm cuda-curand-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-curand-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-curand-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-curand-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cusparse-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cusparse-10-1_10.1.168-1_amd64.deb
+ rm cuda-cusparse-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-cusparse-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-cusparse-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-cusparse-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-npp-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-npp-10-1_10.1.168-1_amd64.deb
+ rm cuda-npp-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-npp-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-npp-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-npp-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-samples-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-samples-10-1_10.1.168-1_amd64.deb
+ rm cuda-samples-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-documentation-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-documentation-10-1_10.1.168-1_amd64.deb
+ rm cuda-documentation-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nsight-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nsight-10-1_10.1.168-1_amd64.deb
+ rm cuda-nsight-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nsight-compute-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nsight-compute-10-1_10.1.168-1_amd64.deb
+ rm cuda-nsight-compute-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nsight-systems-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nsight-systems-10-1_10.1.168-1_amd64.deb
+ rm cuda-nsight-systems-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-nvvp-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-nvvp-10-1_10.1.168-1_amd64.deb
+ rm cuda-nvvp-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-visual-tools-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-visual-tools-10-1_10.1.168-1_amd64.deb
+ rm cuda-visual-tools-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-tools-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-tools-10-1_10.1.168-1_amd64.deb
+ rm cuda-tools-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-libraries-dev-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-libraries-dev-10-1_10.1.168-1_amd64.deb
+ rm cuda-libraries-dev-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-toolkit-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-toolkit-10-1_10.1.168-1_amd64.deb
+ rm cuda-toolkit-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-libraries-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-libraries-10-1_10.1.168-1_amd64.deb
+ rm cuda-libraries-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-runtime-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-runtime-10-1_10.1.168-1_amd64.deb
+ rm cuda-runtime-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-demo-suite-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-demo-suite-10-1_10.1.168-1_amd64.deb
+ rm cuda-demo-suite-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/cuda-10-1_10.1.168-1_amd64.deb"
+ dpkg -i cuda-10-1_10.1.168-1_amd64.deb
+ rm cuda-10-1_10.1.168-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcutensor1_1.0.0-1_amd64.deb"
+ dpkg -i libcutensor1_1.0.0-1_amd64.deb
+ rm libcutensor1_1.0.0-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcutensor-dev_1.0.0-1_amd64.deb"
+ dpkg -i libcutensor-dev_1.0.0-1_amd64.deb
+ rm libcutensor-dev_1.0.0-1_amd64.deb
+
+ wget -N --wait=10 "${CUDA_REPO_URL}/libcutensor-doc_1.0.0-1_amd64.deb"
+ dpkg -i libcutensor-doc_1.0.0-1_amd64.deb
+ rm libcutensor-doc_1.0.0-1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libcudnn7_7.6.5.32-1+cuda10.1_amd64.deb"
+ dpkg -i libcudnn7_7.6.5.32-1+cuda10.1_amd64.deb
+ rm libcudnn7_7.6.5.32-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libcudnn7-dev_7.6.5.32-1+cuda10.1_amd64.deb"
+ dpkg -i libcudnn7-dev_7.6.5.32-1+cuda10.1_amd64.deb
+ rm libcudnn7-dev_7.6.5.32-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnccl2_2.5.6-1+cuda10.1_amd64.deb"
+ dpkg -i libnccl2_2.5.6-1+cuda10.1_amd64.deb
+ rm libnccl2_2.5.6-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnccl-dev_2.5.6-1+cuda10.1_amd64.deb"
+ dpkg -i libnccl-dev_2.5.6-1+cuda10.1_amd64.deb
+ rm libnccl-dev_2.5.6-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvinfer6_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i libnvinfer6_6.0.1-1+cuda10.1_amd64.deb
+ rm libnvinfer6_6.0.1-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvinfer-dev_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i libnvinfer-dev_6.0.1-1+cuda10.1_amd64.deb
+ rm libnvinfer-dev_6.0.1-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvinfer-plugin6_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i libnvinfer-plugin6_6.0.1-1+cuda10.1_amd64.deb
+ rm libnvinfer-plugin6_6.0.1-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvinfer-plugin-dev_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i libnvinfer-plugin-dev_6.0.1-1+cuda10.1_amd64.deb
+ rm libnvinfer-plugin-dev_6.0.1-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvonnxparsers6_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i libnvonnxparsers6_6.0.1-1+cuda10.1_amd64.deb
+ rm libnvonnxparsers6_6.0.1-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvonnxparsers-dev_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i libnvonnxparsers-dev_6.0.1-1+cuda10.1_amd64.deb
+ rm libnvonnxparsers-dev_6.0.1-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvparsers6_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i libnvparsers6_6.0.1-1+cuda10.1_amd64.deb
+ rm libnvparsers6_6.0.1-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/libnvparsers-dev_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i libnvparsers-dev_6.0.1-1+cuda10.1_amd64.deb
+ rm libnvparsers-dev_6.0.1-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/python3-libnvinfer_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i python3-libnvinfer_6.0.1-1+cuda10.1_amd64.deb
+ rm python3-libnvinfer_6.0.1-1+cuda10.1_amd64.deb
+
+ wget -N --wait=10 "${ML_REPO_URL}/python3-libnvinfer-dev_6.0.1-1+cuda10.1_amd64.deb"
+ dpkg -i python3-libnvinfer-dev_6.0.1-1+cuda10.1_amd64.deb
+ rm python3-libnvinfer-dev_6.0.1-1+cuda10.1_amd64.deb
+
+ # Fix path-related issues associated with *.deb-based install of libcudnn and libnccl
+ cp /usr/lib/x86_64-linux-gnu/libcudnn_static.a /usr/local/cuda-10.1/lib64/libcudnn_static.a
+ cp /usr/lib/x86_64-linux-gnu/libcudnn_static_v7.a /usr/local/cuda-10.1/lib64/libcudnn_static_v7.a
+ cp /usr/lib/x86_64-linux-gnu/libcudnn.so.7.6.5 /usr/local/cuda-10.1/lib64/libcudnn.so.7.6.5
+ ln -s /usr/local/cuda-10.1/lib64/libcudnn.so.7.6.5 /usr/local/cuda-10.1/lib64/libcudnn.so.7
+ ln -s /usr/local/cuda-10.1/lib64/libcudnn.so.7 /usr/local/cuda-10.1/lib64/libcudnn.so
+ cp /usr/lib/x86_64-linux-gnu/libnccl_static.a /usr/local/cuda-10.1/lib64/libnccl_static.a
+ cp /usr/lib/x86_64-linux-gnu/libnccl.so.2.5.6 /usr/local/cuda-10.1/lib64/libnccl.so.2.5.6
+ ln -s /usr/local/cuda-10.1/lib64/libnccl.so.2.5.6 /usr/local/cuda-10.1/lib64/libnccl.so.2
+ ln -s /usr/local/cuda-10.1/lib64/libnccl.so.2 /usr/local/cuda-10.1/lib64/libnccl.so
+ cp /usr/include/nccl.h /usr/local/cuda-10.1/include/nccl.h
+ ln -s /usr/local/cuda-10.1/lib64 /usr/local/cuda-10.1/lib
+
+ #https://developer.nvidia.com/compute/machine-learning/tensorrt/secure/7.0/7.0.0.11/local_repo/nv-tensorrt-repo-ubuntu1804-cuda10.0-trt7.0.0.11-ga-20191216_1-1_amd64.deb
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/ubuntu/Singularity.ubuntu-18.04-cuda-10.1.168-openmpi-3.1.4 b/definition-files/ubuntu/Singularity.ubuntu-18.04-cuda-10.1.168-openmpi-3.1.4
new file mode 100644
index 0000000000000000000000000000000000000000..1c2585022f54fdf9d9027f8d9c555c77730be80e
--- /dev/null
+++ b/definition-files/ubuntu/Singularity.ubuntu-18.04-cuda-10.1.168-openmpi-3.1.4
@@ -0,0 +1,98 @@
+Bootstrap: shub
+From: mkandes/ubuntu-cuda:ubuntu-18.04-cuda-10.1.168
+
+%labels
+
+ APPLICATION_NAME ubuntu + cuda + openmpi
+ APPLICATION_VERSION 18.04 + 10.1.168 + 3.1.4
+ APPLICATION_URL https://www.open-mpi.org/faq/?category=runcuda
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200715
+
+%setup
+
+%environment
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set paths to CUDA binaries and libraries
+ export CUDA_HOME='/usr/local/cuda-10.1'
+ export PATH="${CUDA_HOME}/bin${PATH:+:${PATH}}"
+ export LD_LIBRARY_PATH="${CUDA_HOME}/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install basic drivers for user space access to Ethernet, RDMA,
+ # and Infiniband. See https://community.mellanox.com/docs/DOC-2431
+ apt-get -y install dkms
+ apt-get -y install infiniband-diags
+ apt-get -y install libibverbs-dev
+ apt-get -y install ibacm
+ apt-get -y install librdmacm-dev
+ #apt-get -y install libmlx4-dev
+ #apt-get -y install libmlx5-dev
+ apt-get -y install mstflint
+ #apt-get -y install libibcm-dev
+ apt-get -y install libibmad-dev
+ apt-get -y install libibumad-dev
+ apt-get -y install opensm
+ apt-get -y install srptools
+
+ # Install additional tools
+ apt-get -y install ibutils
+ apt-get -y install ibverbs-utils
+ apt-get -y install rdmacm-utils
+ apt-get -y install perftest
+ apt-get -y install numactl
+ apt-get -y install libnuma-dev
+
+ # Install libnl
+ apt-get -y install libnl-3-200
+ apt-get -y install libnl-route-3-200
+ apt-get -y install libnl-route-3-dev
+ apt-get -y install libnl-utils
+
+ # Install OpenMPI dependencies
+ apt-get -y install zlib1g-dev
+
+ cd /tmp
+
+ # Download, build, and install OpenMPI
+ wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.4.tar.gz
+ tar -xf openmpi-3.1.4.tar.gz
+ cd openmpi-3.1.4
+ ./configure --prefix=/opt/openmpi-3.1.4 --with-cuda
+ make all install
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/ubuntu/Singularity.ubuntu-18.04-mvapich-2.3.2 b/definition-files/ubuntu/Singularity.ubuntu-18.04-mvapich-2.3.2
new file mode 100644
index 0000000000000000000000000000000000000000..2b3798fce6819897ffb03954c959ca0016157d59
--- /dev/null
+++ b/definition-files/ubuntu/Singularity.ubuntu-18.04-mvapich-2.3.2
@@ -0,0 +1,94 @@
+Bootstrap: shub
+From: mkandes/ubuntu:ubuntu-18.04
+
+%labels
+
+ APPLICATION_NAME ubuntu + mvapich
+ APPLICATION_VERSION 18.04 + 2.3.2
+ APPLICATION_URL https://mvapich.cse.ohio-state.edu
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200714
+
+%setup
+
+%environment
+
+ # Set paths to MVAPICH2 binaries and libraries
+ export PATH="/opt/mvapich2-2.3.2/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/mvapich2-2.3.2/lib:${LD_LIBRARY_PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install basic drivers for user space access to Ethernet, RDMA,
+ # and Infiniband. See https://community.mellanox.com/docs/DOC-2431
+ apt-get -y install dkms
+ apt-get -y install infiniband-diags
+ apt-get -y install libibverbs-dev
+ apt-get -y install ibacm
+ apt-get -y install librdmacm-dev
+ #apt-get -y install libmlx4-dev
+ #apt-get -y install libmlx5-dev
+ apt-get -y install mstflint
+ #apt-get -y install libibcm-dev
+ apt-get -y install libibmad-dev
+ apt-get -y install libibumad-dev
+ apt-get -y install opensm
+ apt-get -y install srptools
+
+ # Install additional tools
+ apt-get -y install ibutils
+ apt-get -y install ibverbs-utils
+ apt-get -y install rdmacm-utils
+ apt-get -y install perftest
+ apt-get -y install numactl
+ apt-get -y install libnuma-dev
+
+ # Install libnl
+ apt-get -y install libnl-3-200
+ apt-get -y install libnl-route-3-200
+ apt-get -y install libnl-route-3-dev
+ apt-get -y install libnl-utils
+
+ # Install mvapich2 (build) dependencies
+ apt-get -y install bison
+
+ cd /tmp
+
+ # Download, build, and install mvapich2
+ wget http://mvapich.cse.ohio-state.edu/download/mvapich/mv2/mvapich2-2.3.2.tar.gz
+ tar -xzvf mvapich2-2.3.2.tar.gz
+ cd mvapich2-2.3.2
+ ./configure --prefix=/opt/mvapich2-2.3.2
+ make
+ make install
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/ubuntu/Singularity.ubuntu-18.04-openmpi-3.1.4 b/definition-files/ubuntu/Singularity.ubuntu-18.04-openmpi-3.1.4
new file mode 100644
index 0000000000000000000000000000000000000000..6e84fe5869dda408a9c4c6b46e310be1022d1df7
--- /dev/null
+++ b/definition-files/ubuntu/Singularity.ubuntu-18.04-openmpi-3.1.4
@@ -0,0 +1,94 @@
+Bootstrap: shub
+From: mkandes/ubuntu:ubuntu-18.04
+
+%labels
+
+ APPLICATION_NAME ubuntu + openmpi
+ APPLICATION_VERSION 18.04 + 3.1.4
+ APPLICATION_URL https://www.open-mpi.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200809
+
+%setup
+
+%environment
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="/opt/openmpi-3.1.4/bin:${PATH}"
+ export LD_LIBRARY_PATH="/opt/openmpi-3.1.4/lib:${LD_LIBRARY_PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install basic drivers for user space access to Ethernet, RDMA,
+ # and Infiniband. See https://community.mellanox.com/docs/DOC-2431
+ apt-get -y install dkms
+
+ apt-get -y install infiniband-diags
+ apt-get -y install libibverbs-dev
+ apt-get -y install ibacm
+ apt-get -y install librdmacm-dev
+ #apt-get -y install libmlx4-dev
+ #apt-get -y install libmlx5-dev
+ apt-get -y install mstflint
+ #apt-get -y install libibcm-dev
+ apt-get -y install libibmad-dev
+ apt-get -y install libibumad-dev
+ apt-get -y install opensm
+ apt-get -y install srptools
+
+ # Install additional tools
+ apt-get -y install ibutils
+ apt-get -y install ibverbs-utils
+ apt-get -y install rdmacm-utils
+ apt-get -y install perftest
+ apt-get -y install numactl
+ apt-get -y install libnuma-dev
+
+ # Install libnl
+ apt-get -y install libnl-3-200
+ apt-get -y install libnl-route-3-200
+ apt-get -y install libnl-route-3-dev
+ apt-get -y install libnl-utils
+
+ # Install OpenMPI dependencies
+ apt-get -y install zlib1g-dev
+
+ cd /tmp
+
+ # Download, build, and install OpenMPI
+ wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.4.tar.gz
+ tar -xf openmpi-3.1.4.tar.gz
+ cd openmpi-3.1.4
+ ./configure --prefix=/opt/openmpi-3.1.4
+ make all install
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/ubuntu/Singularity.ubuntu-18.04-openmpi-3.1.6 b/definition-files/ubuntu/Singularity.ubuntu-18.04-openmpi-3.1.6
new file mode 100644
index 0000000000000000000000000000000000000000..dcc6fd0f5d2fc7cd2129b9489b47391a65ad5d43
--- /dev/null
+++ b/definition-files/ubuntu/Singularity.ubuntu-18.04-openmpi-3.1.6
@@ -0,0 +1,132 @@
+Bootstrap: shub
+From: mkandes/ubuntu:ubuntu-18.04
+
+%labels
+
+ APPLICATION_NAME ubuntu + openmpi
+ APPLICATION_VERSION 18.04 + 3.1.6
+ APPLICATION_URL https://www.open-mpi.org
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200809
+
+%setup
+
+%environment
+
+ # Set Mellanox OFED version number, operating system, and hardware
+ # platform
+ export MLNX_OFED_VERSION='4.7-3.2.9.0'
+ export MLNX_OS_VERSION='ubuntu18.04'
+ export MLNX_PLATFORM='x86_64'
+
+ # Set OpenMPI major, minor, and revision versions, root and
+ # installation directories
+ export OPENMPI_MAJOR_VERSION=3
+ export OPENMPI_MINOR_VERSION=1
+ export OPENMPI_REVISION_VERSION=6
+ export OPENMPI_VERSION="${OPENMPI_MAJOR_VERSION}.${OPENMPI_MINOR_VERSION}.${OPENMPI_REVISION_VERSION}"
+ export OPENMPI_ROOT_DIR='/opt/openmpi'
+ export OPENMPI_INSTALL_DIR="${OPENMPI_ROOT_DIR}/${OPENMPI_VERSION}"
+
+ # Set paths to OpenMPI binaries and libraries
+ export PATH="${OPENMPI_INSTALL_DIR}/bin:${PATH}"
+ export LD_LIBRARY_PATH="${OPENMPI_INSTALL_DIR}/lib:${LD_LIBRARY_PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install all dependencies and/or prerequisites for Mellanox OFED
+ apt-get -y install bison
+ apt-get -y install chrpath
+ apt-get -y install debhelper
+ apt-get -y install dpatch
+ apt-get -y install flex
+ apt-get -y install graphviz
+ apt-get -y install libnl-3-dev
+ apt-get -y install libnl-route-3-200
+ apt-get -y install tcl-dev
+ apt-get -y install tk-dev
+ apt-get -y install swig
+
+ cd /tmp
+
+ # Set Mellanox OFED version number, operating system, and hardware
+ # platform
+ export MLNX_OFED_VERSION='4.7-3.2.9.0'
+ export MLNX_OS_VERSION='ubuntu18.04'
+ export MLNX_PLATFORM='x86_64'
+
+ # Download and install Mellanox OFED drivers and supporting
+ # libraries for userspace access to Ethernet, RDMA, and Infiniband.
+ # https://docs.mellanox.com/pages/releaseview.action?pageId=15049785
+ wget "http://www.mellanox.com/downloads/ofed/MLNX_OFED-${MLNX_OFED_VERSION}/MLNX_OFED_LINUX-${MLNX_OFED_VERSION}-${MLNX_OS_VERSION}-${MLNX_PLATFORM}.tgz"
+ tar -xf "MLNX_OFED_LINUX-${MLNX_OFED_VERSION}-${MLNX_OS_VERSION}-${MLNX_PLATFORM}.tgz"
+ cd "MLNX_OFED_LINUX-${MLNX_OFED_VERSION}-${MLNX_OS_VERSION}-${MLNX_PLATFORM}"
+ ./mlnxofedinstall --user-space-only --without-fw-update --force
+
+ cd /tmp
+
+ # Remove Mellanox OFED archive directory and tarball
+ rm -rf "MLNX_OFED_LINUX-${MLNX_OFED_VERSION}-${MLNX_OS_VERSION}-${MLNX_PLATFORM}"
+ rm "MLNX_OFED_LINUX-${MLNX_OFED_VERSION}-${MLNX_OS_VERSION}-${MLNX_PLATFORM}.tgz"
+
+ # Install additional tools
+ apt-get -y install numactl
+ apt-get -y install libnuma-dev
+
+ # Install OpenMPI dependencies
+ apt-get -y install zlib1g-dev
+
+ cd /tmp
+
+ # Set OpenMPI major, minor, and revision versions, root and
+ # installation directories
+ export OPENMPI_MAJOR_VERSION=3
+ export OPENMPI_MINOR_VERSION=1
+ export OPENMPI_REVISION_VERSION=6
+ export OPENMPI_VERSION="${OPENMPI_MAJOR_VERSION}.${OPENMPI_MINOR_VERSION}.${OPENMPI_REVISION_VERSION}"
+ export OPENMPI_ROOT_DIR='/opt/openmpi'
+ export OPENMPI_INSTALL_DIR="${OPENMPI_ROOT_DIR}/${OPENMPI_VERSION}"
+
+ # Download, build, and install OpenMPI
+ wget "https://download.open-mpi.org/release/open-mpi/v${OPENMPI_MAJOR_VERSION}.${OPENMPI_MINOR_VERSION}/openmpi-${OPENMPI_VERSION}.tar.gz"
+ tar -xf "openmpi-${OPENMPI_VERSION}.tar.gz"
+ cd "openmpi-${OPENMPI_VERSION}"
+ ./configure --prefix="${OPENMPI_INSTALL_DIR}"
+ make all install
+
+ cd /tmp
+
+ # Remove OpenMPI build directory and source tarball
+ rm -rf "openmpi-${OPENMPI_VERSION}"
+ rm "openmpi-${OPENMPI_VERSION}.tar.gz"
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/ubuntu/Singularity.ubuntu-20.04 b/definition-files/ubuntu/Singularity.ubuntu-20.04
new file mode 100644
index 0000000000000000000000000000000000000000..67d482119f6434cbba2c06397ea7650a6b61051d
--- /dev/null
+++ b/definition-files/ubuntu/Singularity.ubuntu-20.04
@@ -0,0 +1,98 @@
+Bootstrap: debootstrap
+MirrorURL: http://us.archive.ubuntu.com/ubuntu
+OSVersion: focal
+
+%labels
+
+ APPLICATION_NAME ubuntu
+ APPLICATION_VERSION 20.04
+ APPLICATION_URL https://www.ubuntu.com
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200809
+
+%setup
+
+%environment
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='focal'
+
+ # Set system locale
+ export LC_ALL='C'
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='focal'
+
+ # Set system locale
+ export LC_ALL=C
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Install system metapackages
+ apt-get -y install ubuntu-standard
+ apt-get -y install ubuntu-server
+
+ # Add repositories
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION} main"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION} universe"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION} multiverse"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION} restricted"
+
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-updates main"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-updates universe"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-updates multiverse"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-updates restricted"
+
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-backports main"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-backports universe"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-backports multiverse"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-backports restricted"
+
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-security main"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-security universe"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-security multiverse"
+ add-apt-repository -y "deb ${MIRRORURL} ${OSVERSION}-security restricted"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install common packages from 'main'
+ apt-get -y install autoconf
+ apt-get -y install automake
+ apt-get -y install build-essential
+ apt-get -y install cmake
+ apt-get -y install expect
+ apt-get -y install gfortran
+ apt-get -y install libtool
+ apt-get -y install mlocate
+ apt-get -y install pkg-config
+ apt-get -y install wget
+ apt-get -y install zip
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test
diff --git a/definition-files/xcrysden/Singularity.xcrysden-1.6.2 b/definition-files/xcrysden/Singularity.xcrysden-1.6.2
new file mode 100644
index 0000000000000000000000000000000000000000..05a4824ee523275f6a3a796d024572e430689744
--- /dev/null
+++ b/definition-files/xcrysden/Singularity.xcrysden-1.6.2
@@ -0,0 +1,80 @@
+Bootstrap: shub
+From: mkandes/ubuntu:latest
+
+%labels
+
+ APPLICATION_NAME xcrysden
+ APPLICATION_VERSION 1.6.2
+ APPLICATION_URL http://www.xcrysden.org
+
+ SINGULARITY_VERSION 2.6.1
+ SINGULARITY_IMAGE_SIZE 2048
+
+ AUTHOR_NAME Marty Kandes
+ AUTHOR_EMAIL mkandes@sdsc.edu
+
+ LAST_UPDATED 20200413
+
+%setup
+
+%environment
+
+ # Set path to XCrySDen
+ export PATH="/opt/xcrysden-1.6.2:${PATH}"
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://us.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ export LC_ALL=C
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+ # Set path to miniconda
+ export PATH="/opt/miniconda3/bin:${PATH}"
+
+ # Install XCrySDen dependencies
+ apt-get -y install xorg
+ apt-get -y install xorg-dev
+ apt-get -y install xorg-docs
+ apt-get -y install xorg-docs-core
+ apt-get -y install tcl
+ apt-get -y install tcl-dev
+ apt-get -y install tcl-doc
+ apt-get -y install tk
+ apt-get -y install tk-dev
+ apt-get -y install tk-doc
+ apt-get -y install libtogl-dev
+ apt-get -y install bwidget
+ apt-get -y install libfftw3-dev
+ apt-get -y install freeglut3-dev
+
+ cd /opt
+
+ # Download, build, and install XCrySDen
+ wget http://www.xcrysden.org/download/xcrysden-1.6.2.tar.gz
+ tar -xf xcrysden-1.6.2.tar.gz
+ cd xcrysden-1.6.2
+ cp system/Make.sys-shared Make.sys
+ make all
+ cd ../
+ rm xcrysden-1.6.2.tar.gz
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+
+%files
+
+%runscript
+
+%test