diff --git a/definition-files/almalinux/Singularity.base b/definition-files/almalinux/Singularity.base
new file mode 100644
index 0000000000000000000000000000000000000000..03700390c5dc004a51bef72ff1a98a04c97265da
--- /dev/null
+++ b/definition-files/almalinux/Singularity.base
@@ -0,0 +1,23 @@
+Bootstrap: docker
+From: almalinux:8
+
+%labels
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
+
+%files
+ $PWD/definition-files/runscript /.singularity.d/runscript
+ $PWD/definition-files/run-help /.singularity.d/runscript.help
+
+%post
+ # command prompt name
+ CNAME=alma8.base
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+ # add some labels
+ echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+ echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
+
+%environment
+ export LANG=C.UTF-8
+ export LIBRARY=/usr/lib64:/lib64:/lib
+ export INCLUDE=/usr/include
\ No newline at end of file
diff --git a/definition-files/almalinux/Singularity.met b/definition-files/almalinux/Singularity.met
new file mode 100644
index 0000000000000000000000000000000000000000..1c83097b9af05b25463a9469a1e6d0c14a4029a5
--- /dev/null
+++ b/definition-files/almalinux/Singularity.met
@@ -0,0 +1,55 @@
+Bootstrap: docker
+From: almalinux:8
+
+%labels
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
+
+%files
+ $PWD/definition-files/runscript /.singularity.d/runscript
+ $PWD/definition-files/run-help /.singularity.d/runscript.help
+
+%post
+ # Every line will be a layer in the container
+ # See https://fedoraproject.org/wiki/EPEL#Quickstart for powertools
+ yum update -y \
+ && yum install -y dnf-plugins-core \
+ && dnf config-manager --set-enabled powertools \
+ && yum install -y epel-release \
+ && yum update -y \
+ && yum --enablerepo epel groupinstall -y "Development Tools" \
+ && yum --enablerepo epel install -y \
+ curl \
+ findutils \
+ gcc-c++ \
+ gcc \
+ gcc-gfortran \
+ git \
+ gnupg2 \
+ hostname \
+ iproute \
+ make \
+ patch \
+ python38 \
+ python38-pip \
+ python38-setuptools \
+ unzip \
+ nco \
+ hdf5-devel \
+ netcdf-devel \
+ netcdf-fortran-devel \
+ python38-numpy-f2py \
+ && rm -rf /var/cache/yum \
+ && yum clean all
+ # This means no openmpi
+ # command prompt name
+ CNAME=alma8.met
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+ # add some labels
+ echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+ echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
+
+%environment
+ export LIBRARY=/usr/lib64:/lib64:/lib
+ export INCLUDE=/usr/lib64/gfortran/modules:/usr/include
+
diff --git a/definition-files/almalinux/Singularity.met.ompi b/definition-files/almalinux/Singularity.met.ompi
new file mode 100644
index 0000000000000000000000000000000000000000..d3a22aea2b87d4a704f64a8fb17001f0f97317a9
--- /dev/null
+++ b/definition-files/almalinux/Singularity.met.ompi
@@ -0,0 +1,55 @@
+Bootstrap: docker
+From: almalinux:8
+
+%labels
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
+
+%files
+ $PWD/definition-files/runscript /.singularity.d/runscript
+ $PWD/definition-files/run-help /.singularity.d/runscript.help
+
+%post
+ # Every line will be a layer in the container
+ # See https://fedoraproject.org/wiki/EPEL#Quickstart for powertools
+ yum update -y \
+ && yum install -y dnf-plugins-core \
+ && dnf config-manager --set-enabled powertools \
+ && yum install -y epel-release \
+ && yum update -y \
+ && yum --enablerepo epel groupinstall -y "Development Tools" \
+ && yum --enablerepo epel install -y \
+ curl \
+ findutils \
+ gcc-c++ \
+ gcc \
+ gcc-gfortran \
+ git \
+ gnupg2 \
+ hostname \
+ iproute \
+ make \
+ patch \
+ python38 \
+ python38-pip \
+ python38-setuptools \
+ unzip \
+ nco \
+ hdf5-openmpi-devel \
+ netcdf-openmpi-devel \
+ netcdf-fortran-openmpi-devel \
+ python38-numpy-f2py \
+ && rm -rf /var/cache/yum \
+ && yum clean all
+ # This means no openmpi
+ # command prompt name
+ CNAME=alma8.metompi
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+ # add some labels
+ echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+ echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
+
+%environment
+ export LIBRARY=/usr/lib64:/lib64:/lib
+ export INCLUDE=/usr/lib64/gfortran/modules:/usr/include
+
diff --git a/definition-files/almalinux/Singularity-alma8-spack b/definition-files/almalinux/Singularity.spack
similarity index 92%
rename from definition-files/almalinux/Singularity-alma8-spack
rename to definition-files/almalinux/Singularity.spack
index c9065487af1c7040bb545c643311c21f1db982bc..bc2ff4421095789e7305629c855fda48a3fe15f0 100644
--- a/definition-files/almalinux/Singularity-alma8-spack
+++ b/definition-files/almalinux/Singularity.spack
@@ -1,6 +1,11 @@
Bootstrap: docker
From: almalinux:8
+#
+# This is a spack development image to use for downstream development
+# to be combined with the base image for two stage builds
+#
+
%labels
MAINTAINER Spack Maintainers <maintainers@spack.io>
@@ -68,6 +73,7 @@ From: almalinux:8
export DEBIAN_FRONTEND=noninteractive
%runscript
+ # Need spack entry point to allow spack builds
exec /bin/bash /opt/spack/share/spack/docker/entrypoint.bash interactive-shell "$@"
%startscript
diff --git a/definition-files/alpine/Singularity.met b/definition-files/alpine/Singularity.met
new file mode 100644
index 0000000000000000000000000000000000000000..7da3717c642892f3637a96930f426aa51fa87128
--- /dev/null
+++ b/definition-files/alpine/Singularity.met
@@ -0,0 +1,34 @@
+Bootstrap: docker
+From: alpine
+
+%labels
+ MAINTAINER Michael Blaschek <michael.blaschek@univie.ac.at>
+
+%files
+ $PWD/definition-files/runscript /.singularity.d/runscript
+ $PWD/definition-files/run-help /.singularity.d/runscript.help
+
+%post
+ apk add --no-cache build-base \
+ curl \
+ gcc \
+ gcc-gfortran \
+ make \
+ cdo \
+ nco \
+ hdf5-dev \
+ hdf5-fortran \
+ netcdf-dev \
+ netcdf-fortran
+ # command prompt name
+ CNAME=u18.04.base
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+ # add some labels
+ echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+ echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
+
+%environment
+ export LANG=C.UTF-8
+ export LIBRARY=/usr/lib64:/lib64:/lib
+ export INCLUDE=/usr/include
\ No newline at end of file
diff --git a/definition-files/micromamba/Singularity.conda-py39-dev-debian b/definition-files/micromamba/Singularity.conda-py39-dev-debian
deleted file mode 100644
index ab0dab5c5bcbe9c6116ac382435ceb50bed47be7..0000000000000000000000000000000000000000
--- a/definition-files/micromamba/Singularity.conda-py39-dev-debian
+++ /dev/null
@@ -1,26 +0,0 @@
-Bootstrap: docker
-From: mambaorg/micromamba:latest
-
-%help
- Micromamba conda environment with
- Python 3.9.13 and the latest eccodes (binary+py)
- https://pypi.org/project/eccodes/
-%labels
- maintainer M. Blaschek
- mail michael.blaschek@univie.ac.at
- date 7.10.2022
- python 3.9.13
- eccodes 2.27.0
- gcc 9.5.0
- gfortran 9.5.0
-%post
- micromamba -q install -y -n base -c conda-forge eccodes=2.27.0 cdo nco netcdf4 hdf5 openmpi=4.0.5 gcc=9.5.0 gfortran=9.5.0 python=3.9.13 &&
- /opt/conda/bin/pip install eccodes && /opt/conda/bin/pip cache purge &&
- micromamba clean --all --yes
-%environment
- LIBRARY=/opt/conda/lib
- INCLUDE=/opt/conda/include
- BIN=/opt/conda/bin
- SHARE=/opt/conda/share
-%test
- /opt/conda/bin/python3 -m eccodes selfcheck
diff --git a/definition-files/micromamba/Singularity.conda-py39-eccodes-debian b/definition-files/micromamba/Singularity.conda-py39-eccodes-debian
deleted file mode 100644
index 76c11c173b001938a10b32c1cb6b8ce111082b44..0000000000000000000000000000000000000000
--- a/definition-files/micromamba/Singularity.conda-py39-eccodes-debian
+++ /dev/null
@@ -1,19 +0,0 @@
-Bootstrap: docker
-From: mambaorg/micromamba:latest
-
-%help
- Micromamba conda environment with
- Python 3.9.13 and the latest eccodes (binary+py)
- https://pypi.org/project/eccodes/
-%labels
- maintainer M. Blaschek
- mail michael.blaschek@univie.ac.at
- date 7.10.2022
- python 3.9.13
- eccodes 2.27.0
-%post
- micromamba -q install -y -n base -c conda-forge eccodes=2.27.0 python=3.9.13 &&
- /opt/conda/bin/pip install eccodes && /opt/conda/bin/pip cache purge &&
- micromamba clean --all --yes
-%test
- python -m eccodes selfcheck
diff --git a/definition-files/micromamba/Singularity.py39.dart b/definition-files/micromamba/Singularity.py39.dart
new file mode 100644
index 0000000000000000000000000000000000000000..f107914c9ed5bd730995ba865eefd8f7d4ffac26
--- /dev/null
+++ b/definition-files/micromamba/Singularity.py39.dart
@@ -0,0 +1,53 @@
+Bootstrap: docker
+From: mambaorg/micromamba:latest
+
+%labels
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
+
+%files
+ $PWD/definition-files/runscript /.singularity.d/runscript
+ $PWD/definition-files/run-help /.singularity.d/runscript.help
+
+%post
+ apt -y update && apt -y install \
+ build-essential \
+ git \
+ tcsh \
+ csh \
+ ksh \
+ m4 \
+ libtool \
+ automake \
+ autoconf \
+ && apt -y clean
+ micromamba -q install -y -n base -c conda-forge \
+ eccodes=2.27.0 \
+ cdo \
+ nco \
+ netcdf4 \
+ hdf5 \
+ openmpi=4.0.5 \
+ gcc=9.5.0 \
+ gfortran=9.5.0 \
+ python=3.9.13 &&
+ /opt/conda/bin/pip install eccodes && /opt/conda/bin/pip cache purge &&
+ micromamba clean --all --yes
+ # command prompt name
+ CNAME=m.dart
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+ # add some labels
+ echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+ echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
+
+%test
+ python -m eccodes selfcheck
+ gfortran --version
+ gcc --version
+ ncks --version
+ cdo --version
+
+%environment
+ export PATH=/opt/conda/bin:$PATH
+ export LIBRARY=/opt/conda/lib:/usr/lib64:/lib64:/lib
+ export INCLUDE=/opt/conda/include:/usr/include
diff --git a/definition-files/micromamba/Singularity.py39.eccodes b/definition-files/micromamba/Singularity.py39.eccodes
new file mode 100644
index 0000000000000000000000000000000000000000..ad82c2d50a34f432a55bbb4413d988233a9ccddf
--- /dev/null
+++ b/definition-files/micromamba/Singularity.py39.eccodes
@@ -0,0 +1,31 @@
+Bootstrap: docker
+From: mambaorg/micromamba:latest
+
+%labels
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
+ python 3.9.13
+ eccodes 2.27.0
+
+%files
+ $PWD/definition-files/runscript /.singularity.d/runscript
+ $PWD/definition-files/run-help /.singularity.d/runscript.help
+
+%post
+ micromamba -q install -y -n base -c conda-forge eccodes=2.27.0 python=3.9.13 &&
+ /opt/conda/bin/pip install eccodes && /opt/conda/bin/pip cache purge &&
+ micromamba clean --all --yes
+ # command prompt name
+ CNAME=m.eccodes
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+ # add some labels
+ echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+ echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
+
+%test
+ python -m eccodes selfcheck
+
+%environment
+ export PATH=/opt/conda/bin:$PATH
+ export LIBRARY=/opt/conda/lib
+ export INCLUDE=/opt/conda/include
\ No newline at end of file
diff --git a/definition-files/micromamba/Singularity.py39.metdev b/definition-files/micromamba/Singularity.py39.metdev
new file mode 100644
index 0000000000000000000000000000000000000000..a669d8beeb4824b07b5a78963ad3e4a7d357a379
--- /dev/null
+++ b/definition-files/micromamba/Singularity.py39.metdev
@@ -0,0 +1,78 @@
+Bootstrap: docker
+From: mambaorg/micromamba:latest
+
+%labels
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
+
+%files
+ $PWD/definition-files/runscript /.singularity.d/runscript
+ $PWD/definition-files/run-help /.singularity.d/runscript.help
+
+%apprun install-ipykernel
+ # install current container as kernel
+ mkdir -p $HOME/.local/share/jupyter/kernels/metdev-py3
+ cat <<EOF >$HOME/.local/share/jupyter/kernels/metdev-py3/kernel.json
+{
+ "language": "python",
+ "argv": ["singularity",
+ "exec",
+ "$SINGULARITY_CONTAINER",
+ "/opt/conda/bin/python3",
+ "-m",
+ "ipykernel",
+ "-f",
+ "{connection_file}"
+ ],
+ "display_name": "sPy 3 (metdev)"
+}
+EOF
+ echo "Kernel written: $HOME/.local/share/jupyter/kernels/metdev-py3"
+
+%post
+ micromamba -q install -y -n base -c conda-forge \
+ python=3.9.13 \
+ eccodes=2.27.0 \
+ ipykernel \
+ nco \
+ cdo \
+ pandas \
+ xarray \
+ dask \
+ numba \
+ scipy \
+ netcdf4 \
+ h5py \
+ hdf5 \
+ distributed \
+ proj \
+ h5netcdf \
+ matplotlib \
+ zarr \
+ metpy \
+ cartopy \
+ && /opt/conda/bin/pip install eccodes && /opt/conda/bin/pip cache purge &&
+ micromamba clean --all --yes
+ # command prompt name
+ CNAME=m.metdev
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+ # add some labels
+ echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+ echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
+ # add App help information
+ echo -e "Apps: \n- install-ipykernel Install IPython Kernel to local user\n" >> /.singularity.d/runscript.help
+
+%test
+ # Check eccodes lib functionality
+ python -m eccodes selfcheck
+ # Check cartopy
+
+ # Check netcdf
+
+ # Check hdf5
+
+%environment
+ export LANG=C.UTF-8
+ export PATH=/opt/conda/bin:$PATH
+ export LIBRARY=/opt/conda/lib
+ export INCLUDE=/opt/conda/include
\ No newline at end of file
diff --git a/definition-files/run-help b/definition-files/run-help
new file mode 100644
index 0000000000000000000000000000000000000000..23cc9595ca931f8085fe049ceac66c90120761ea
--- /dev/null
+++ b/definition-files/run-help
@@ -0,0 +1,20 @@
+Singularity/Apptainer container
+(c) Department of Meteorology and Geophysics
+ University of Vienna
+
+interactive shell
+> singularity shell image.sif
+> ./image.sif
+
+run a command inside the container
+> ./image.sif [cmd] [args]
+
+bind special directories
+> export SINGULARITY_BIND=/this/is/not/a/typical/linux/path
+> ./image.sif ls /this/is/not/a/typical/linux/path
+
+development using includes and libraries from inside the container
+> ./image.sif gfortran -I\$INCLUDE -L\$LIBRARY -o test.x test.f90
+
+Ask for help: it.img-wien@univie.ac.at
+Gitlab: https://gitlab.phaidra.org/imgw/singularity
diff --git a/definition-files/runscript b/definition-files/runscript
new file mode 100644
index 0000000000000000000000000000000000000000..e57112314385a86de5e5d816804518f4a2ff8430
--- /dev/null
+++ b/definition-files/runscript
@@ -0,0 +1,12 @@
+#!/bin/sh
+# overwrite any existing runscript
+# add IMGW customized PROMPT_COMMAND
+if [ $# -gt 0 ]; then
+ # run cmd line options
+ exec "$@"
+else
+ # interactive
+ echo "Welcome inside an IMGW container!"
+ echo "Get help: singularity run-help $SINGULARITY_NAME"
+ exec /.singularity.d/actions/shell "$@"
+fi
\ No newline at end of file
diff --git a/definition-files/ubuntu/Singularity.ubuntu-18.04 b/definition-files/ubuntu/Singularity.18.04.base
similarity index 79%
rename from definition-files/ubuntu/Singularity.ubuntu-18.04
rename to definition-files/ubuntu/Singularity.18.04.base
index f883a69d83da190c5a00172a38c2d46caac351b7..bba4590c9b1855cb80cda39faa6296641978d116 100644
--- a/definition-files/ubuntu/Singularity.ubuntu-18.04
+++ b/definition-files/ubuntu/Singularity.18.04.base
@@ -3,20 +3,9 @@ MirrorURL: http://at.archive.ubuntu.com/ubuntu
OSVersion: bionic
%labels
-
- APPLICATION_NAME ubuntu
- APPLICATION_VERSION 18.04
- APPLICATION_URL https://www.ubuntu.com
-
- AUTHOR_NAME Michael Blaschek
- AUTHOR_EMAIL michael.blaschek@univie.ac.at
-
- LAST_UPDATED 20211118
-
-%setup
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
%environment
-
# Set operating system mirror URL
export MIRRORURL='http://at.archive.ubuntu.com/ubuntu'
@@ -24,7 +13,8 @@ OSVersion: bionic
export OSVERSION='bionic'
# Set system locale
- export LC_ALL='C'
+ #export LC_ALL='C'
+ export LANG=C.UTF-8
# Set debian frontend interface
export DEBIAN_FRONTEND='noninteractive'
@@ -38,7 +28,8 @@ OSVersion: bionic
export OSVERSION='bionic'
# Set system locale
- export LC_ALL=C
+ # export LC_ALL=C
+ export LANG=C.UTF-8
# Set debian frontend interface
export DEBIAN_FRONTEND='noninteractive'
@@ -91,9 +82,15 @@ OSVersion: bionic
# Update database for mlocate
updatedb
+ # command prompt name
+ CNAME=u18.04.base
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+ # add some labels
+ echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+ echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
-%files
-
-%runscript
-
-%test
+%environment
+ export LANG=C.UTF-8
+ export LIBRARY=/usr/lib64:/lib64:/lib
+ export INCLUDE=/usr/include
\ No newline at end of file
diff --git a/definition-files/ubuntu/Singularity.ubuntu-20.04 b/definition-files/ubuntu/Singularity.20.04.base
similarity index 79%
rename from definition-files/ubuntu/Singularity.ubuntu-20.04
rename to definition-files/ubuntu/Singularity.20.04.base
index 26ff889f3d1a40afd985e5fd2883f4a2194349ad..8ab2e3701fad770933cbbde13c08480edb3e96d3 100644
--- a/definition-files/ubuntu/Singularity.ubuntu-20.04
+++ b/definition-files/ubuntu/Singularity.20.04.base
@@ -2,18 +2,10 @@ Bootstrap: debootstrap
MirrorURL: http://at.archive.ubuntu.com/ubuntu
OSVersion: focal
-%labels
-
- APPLICATION_NAME ubuntu
- APPLICATION_VERSION 20.04
- APPLICATION_URL https://www.ubuntu.com
- AUTHOR_NAME Michael Blaschek
- AUTHOR_EMAIL michael.blaschek@univie.ac.at
-
- LAST_UPDATED 20211118
+%labels
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
-%setup
%environment
@@ -24,7 +16,8 @@ OSVersion: focal
export OSVERSION='focal'
# Set system locale
- export LC_ALL='C'
+ #export LC_ALL='C'
+ export LANG=C.UTF-8
# Set debian frontend interface
export DEBIAN_FRONTEND='noninteractive'
@@ -38,7 +31,8 @@ OSVersion: focal
export OSVERSION='focal'
# Set system locale
- export LC_ALL=C
+ #export LC_ALL=C
+ export LANG=C.UTF-8
# Set debian frontend interface
export DEBIAN_FRONTEND='noninteractive'
@@ -91,9 +85,15 @@ OSVersion: focal
# Update database for mlocate
updatedb
+ # command prompt name
+ CNAME=u20.04.base
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
+ # add some labels
+ echo "libc $(ldd --version | head -n1 | cut -d' ' -f4)" >> "$SINGULARITY_LABELS"
+ echo "linux $(cat /etc/os-release | grep PRETTY_NAME | cut -d'=' -f2)" >> "$SINGULARITY_LABELS"
-%files
-
-%runscript
-
-%test
+%environment
+ export LANG=C.UTF-8
+ export LIBRARY=/usr/lib64:/lib64:/lib
+ export INCLUDE=/usr/include
\ No newline at end of file
diff --git a/definition-files/ubuntu/Singularity.ompi b/definition-files/ubuntu/Singularity.ompi
new file mode 100644
index 0000000000000000000000000000000000000000..e9f35423f1f6da24619a0f052cfc5884efe82cf8
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+++ b/definition-files/ubuntu/Singularity.ompi
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+Bootstrap: docker
+From: ubuntu:18.04
+
+%labels
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
+
+%environment
+ # Point to OMPI binaries, libraries, man pages
+ export OMPI_DIR=/opt/ompi
+ export PATH="$OMPI_DIR/bin:$PATH"
+ export LD_LIBRARY_PATH="$OMPI_DIR/lib:$LD_LIBRARY_PATH"
+ export MANPATH="$OMPI_DIR/share/man:$MANPATH"
+ export LANG=C.UTF-8
+
+%post
+ echo "Installing required packages..."
+ apt-get update && apt-get install -y wget git bash gcc gfortran g++ make file
+
+ echo "Installing Open MPI"
+ export OMPI_DIR=/opt/ompi
+ export OMPI_VERSION=4.0.5
+ export OMPI_URL="https://download.open-mpi.org/release/open-mpi/v4.0/openmpi-$OMPI_VERSION.tar.bz2"
+ mkdir -p /tmp/ompi
+ mkdir -p /opt
+ # Download
+ cd /tmp/ompi && wget -O openmpi-$OMPI_VERSION.tar.bz2 $OMPI_URL && tar -xjf openmpi-$OMPI_VERSION.tar.bz2
+ # Compile and install
+ cd /tmp/ompi/openmpi-$OMPI_VERSION && ./configure --prefix=$OMPI_DIR && make -j8 install
+
+ # Set env variables so we can compile our application
+ export PATH=$OMPI_DIR/bin:$PATH
+ export LD_LIBRARY_PATH=$OMPI_DIR/lib:$LD_LIBRARY_PATH
+
+ echo "Compiling the MPI application..."
+ cat<<EOF>/opt/mpitest.c
+/*
+ * Usage:
+ * mpicc mpitest.c -o mpitest
+ * mpirun -np 2 -H `hostname` ./mpitest
+ */
+
+#include <stdio.h>
+#include <mpi.h>
+
+int main(int argc, char *argv[])
+{
+ int rank, size, h_len;
+ char hostname[MPI_MAX_PROCESSOR_NAME];
+ MPI_Init(&argc, &argv);
+
+ // get rank of this proces
+ MPI_Comm_rank(MPI_COMM_WORLD, &rank);
+ // get total process number
+ MPI_Comm_size(MPI_COMM_WORLD, &size);
+
+ MPI_Get_processor_name(hostname, &h_len);
+ printf("Start! rank:%d size: %d at %s\n", rank, size,hostname);
+ //do something
+ printf("Done! rank:%d size: %d at %s\n", rank, size,hostname);
+
+ MPI_Finalize();
+ return 0;
+}
+EOF
+ cd /opt && mpicc -o mpitest mpitest.c
+