diff --git a/definition-files/ubuntu/Singularity.18.04.base b/definition-files/ubuntu/Singularity.18.04.base
index bba4590c9b1855cb80cda39faa6296641978d116..0080fccd018317a5c4452ca91df0993b1c7350fe 100644
--- a/definition-files/ubuntu/Singularity.18.04.base
+++ b/definition-files/ubuntu/Singularity.18.04.base
@@ -1,89 +1,16 @@
-Bootstrap: debootstrap
-MirrorURL: http://at.archive.ubuntu.com/ubuntu
-OSVersion: bionic
+Bootstrap: docker
+From: ubuntu:18.04
%labels
maintainer IT-IMGW <it.img-wien@univie.ac.at>
-%environment
- # Set operating system mirror URL
- export MIRRORURL='http://at.archive.ubuntu.com/ubuntu'
-
- # Set operating system version
- export OSVERSION='bionic'
-
- # Set system locale
- #export LC_ALL='C'
- export LANG=C.UTF-8
-
- # Set debian frontend interface
- export DEBIAN_FRONTEND='noninteractive'
-
-%post -c /bin/bash
-
- # Set operating system mirror URL
- export MIRRORURL='http://at.archive.ubuntu.com/ubuntu'
-
- # Set operating system version
- export OSVERSION='bionic'
-
- # Set system locale
- # export LC_ALL=C
- export LANG=C.UTF-8
-
- # 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 evince
- 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
+%files
+ $PWD/definition-files/runscript /.singularity.d/runscript
+ $PWD/definition-files/run-help /.singularity.d/runscript.help
- # Update database for mlocate
- updatedb
+%post
# command prompt name
- CNAME=u18.04.base
+ CNAME=u18.base
# does not work goes into /.singularity.d/env/91-environment.sh
echo "export PS1=\"[IMGW-$CNAME]\w\$ \"" >> /.singularity.d/env/99-zz-custom-env.sh
# add some labels
diff --git a/definition-files/ubuntu/Singularity.18.04.base.bootstrap b/definition-files/ubuntu/Singularity.18.04.base.bootstrap
new file mode 100644
index 0000000000000000000000000000000000000000..bba4590c9b1855cb80cda39faa6296641978d116
--- /dev/null
+++ b/definition-files/ubuntu/Singularity.18.04.base.bootstrap
@@ -0,0 +1,96 @@
+Bootstrap: debootstrap
+MirrorURL: http://at.archive.ubuntu.com/ubuntu
+OSVersion: bionic
+
+%labels
+ maintainer IT-IMGW <it.img-wien@univie.ac.at>
+
+%environment
+ # Set operating system mirror URL
+ export MIRRORURL='http://at.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ #export LC_ALL='C'
+ export LANG=C.UTF-8
+
+ # Set debian frontend interface
+ export DEBIAN_FRONTEND='noninteractive'
+
+%post -c /bin/bash
+
+ # Set operating system mirror URL
+ export MIRRORURL='http://at.archive.ubuntu.com/ubuntu'
+
+ # Set operating system version
+ export OSVERSION='bionic'
+
+ # Set system locale
+ # export LC_ALL=C
+ export LANG=C.UTF-8
+
+ # 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} ${OSVERSION}-security restricted"
+
+ # Upgrade all software packages to their latest versions
+ apt-get -y update && apt-get -y upgrade
+
+ # Install common packages from 'main'
+ apt-get -y install autoconf
+ apt-get -y install automake
+ apt-get -y install build-essential
+ apt-get -y install cmake
+ apt-get -y install evince
+ apt-get -y install expect
+ apt-get -y install gfortran
+ apt-get -y install libtool
+ apt-get -y install mlocate
+ apt-get -y install pkg-config
+ apt-get -y install wget
+ apt-get -y install zip
+
+ # Cleanup
+ apt-get -y autoremove --purge
+ apt-get -y clean
+
+ # Update database for mlocate
+ updatedb
+ # command prompt name
+ CNAME=u18.04.base
+ # does not work goes into /.singularity.d/env/91-environment.sh
+ echo "export PS1=\"[IMGW-$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/development/spack.cs.yaml b/development/spack.cs.yaml
index 8125a4fa78440a50e33563c7b403b1b800d3603e..cc97708133e13e0e831eac20e62fa34298d63a7b 100644
--- a/development/spack.cs.yaml
+++ b/development/spack.cs.yaml
@@ -1,12 +1,14 @@
spack:
specs:
- #- hdf5@1.10.7+mpi target=skylake
- - openmpi@4.1.1 fabrics=ucx schedulers=slurm +legacylaunchers+thread_multiple+pmi target=skylake
- - ucx@ +thread_multiple+pic+rc+dm+dc+ud+cma+mlx5-dv target=skylake
+ - openblas@0.3.18 target=skylake
+ - netcdf-fortran@4.5.2 target=skylake
+ - netcdf-c@4.7.4+parallel-netcdf target=skylake
+ - hdf5@1.12.1+mpi+fortran+hl+threadsafe+szip target=skylake
+ - openmpi@4.1.1+legacylaunchers+pmi fabrics=ucx schedulers=slurm target=skylake
+ - ucx@1.11.2 +thread_multiple+pic+rc+dm+dc+ud+cma target=skylake
container:
images:
- # os: "ubuntu:18.04"
os: "centos:8"
spack: 0.19.0
@@ -21,3 +23,6 @@ spack:
labels:
mpi: "openmpi@4.1.1"
+ netcdf: "4.7.4"
+ hdf5: "1.12.1"
+ ucx: "1.11.2+ud"
diff --git a/development/spack.yaml b/development/spack.yaml
index c952c54f139a5531f0f954fa8178f83760b5e1de..178c161e34cbb6a46f78de2ba7bc1c98e1b1bb8e 100644
--- a/development/spack.yaml
+++ b/development/spack.yaml
@@ -1,7 +1,7 @@
spack:
specs:
- - hdf5@1.10.7+mpi target=skylake
- - openmpi@3.1.6 target=skylake
+ - hdf5@1.10.7+mpi+fortran+hl target=skylake
+ - openmpi@3.1.6 fabrics=ucx target=skylake
container:
images:
@@ -19,4 +19,4 @@ spack:
labels:
app: "hdf5@1.10.7+mpi"
- mpi: "openmpi@3.1.6"
\ No newline at end of file
+ mpi: "openmpi@3.1.6"
diff --git a/models/WRF/Singularity.wrf b/models/WRF/Singularity.wrf
index 9406e9e578afd1cd214758cbfa9a831c39f8ae89..8efe12b27e3396ae82bf6e8a74003bd9a4c609a7 100644
--- a/models/WRF/Singularity.wrf
+++ b/models/WRF/Singularity.wrf
@@ -25,7 +25,9 @@ NETCDF=/usr/lib64/openmpi/
mkdir -vp /wrf/WRF /wrf/WPS \
&& cat /wrf/WRF.tar.gz | tar --no-same-owner --strip-components=1 -zxC /wrf/WRF \
- && cat /wrf/WPS.tar.gz | tar --no-same-owner --strip-components=1 -zxC /wrf/WPS
+ && cat /wrf/WPS.tar.gz | tar --no-same-owner --strip-components=1 -zxC /wrf/WPS \
+ && rm /wrf/WRF.tar.gz /wrf/WPS.tar.gz
+
# Build WRF with Option 34 and 1
# GCC with openmpi