Unverified Commit a9d19320 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

update singularity definition files to include kim-api packages

parent dd746f76
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+1 −1
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@@ -11,7 +11,7 @@ From: centos:7
            hdf5-devel python36-virtualenv python36-pip python-pip \
            netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
            python-virtualenv fftw-devel voro++-devel eigen3-devel gsl-devel openblas-devel enchant \
            blas-devel lapack-devel libyaml-devel
            blas-devel lapack-devel libyaml-devel openkim-models kim-api-devel
        yum clean all

        # set custom prompt indicating the container name
+1 −1
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@@ -35,7 +35,7 @@ From: fedora:32
               texlive-latex-bin texlive-lualatex-math texlive-fncychap texlive-tabulary \
               texlive-framed texlive-wrapfig texlive-upquote texlive-capt-of \
               texlive-needspace texlive-titlesec texlive-anysize texlive-dvipng \
               blas-devel lapack-devel libyaml-devel
               blas-devel lapack-devel libyaml-devel openkim-models kim-api-devel
        dnf clean all

        # set custom prompt indicating the container name
+4 −1
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@@ -3,6 +3,7 @@ From: ubuntu:18.04

%post
    export DEBIAN_FRONTEND=noninteractive
    add-apt-repository ppa:openkim/latest
    apt-get update
    apt-get upgrade --no-install-recommends -y
    apt-get install --no-install-recommends -y \
@@ -66,7 +67,9 @@ From: ubuntu:18.04
        wget \
        xxd \
        valgrind \
        gdb
        gdb \
        libkim-api-dev \
        openkim-models

    # clean cache
    rm -rf /var/lib/apt/lists/*
+5 −2
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@@ -3,6 +3,7 @@ From: ubuntu:20.04

%post
    export DEBIAN_FRONTEND=noninteractive
    add-apt-repository ppa:openkim/latest
    apt-get update
    apt-get upgrade --no-install-recommends -y
    apt-get install --no-install-recommends -y \
@@ -62,7 +63,9 @@ From: ubuntu:20.04
        wget \
        xxd \
        valgrind \
        gdb
        gdb \
        libkim-api-dev \
        openkim-models

    # clean cache
    rm -rf /var/lib/apt/lists/*
@@ -75,10 +78,10 @@ PS1="[ubuntu20.04:\u@\h] \W> "
EOF
    chmod 755 $CUSTOM_PROMPT_ENV


%environment
    LC_ALL=C
    export LC_ALL
    export PATH=/usr/lib/ccache:$PATH
    # restrict OpenMPI to shared memory comm by default
    OMPI_MCA_btl="tcp,self"
    # do not warn about unused components as this messes up testing