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- Add CentOS 8 container - Migrate changes from Singularity definition files
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| FROM centos:8 | ||
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| RUN dnf -y install epel-release dnf-utils && \ | ||
| dnf config-manager --set-enabled PowerTools && \ | ||
| dnf -y update && \ | ||
| dnf -y install \ | ||
| blas-devel \ | ||
| ccache \ | ||
| clang \ | ||
| cmake \ | ||
| diffutils \ | ||
| doxygen \ | ||
| doxygen-latex \ | ||
| eigen3-devel \ | ||
| enchant \ | ||
| fftw-devel \ | ||
| file \ | ||
| file \ | ||
| gcc-c++ \ | ||
| gcc-gfortran \ | ||
| gdb \ | ||
| git \ | ||
| gsl-devel \ | ||
| hdf5-devel \ | ||
| kim-api-devel \ | ||
| lapack-devel \ | ||
| latexmk \ | ||
| libasan \ | ||
| libjpeg-devel \ | ||
| libomp-devel \ | ||
| libpng-devel \ | ||
| libtsan \ | ||
| libubsan \ | ||
| libyaml-devel \ | ||
| libzstd-devel \ | ||
| make \ | ||
| mpich-devel \ | ||
| netcdf-cxx-devel \ | ||
| netcdf-devel \ | ||
| netcdf-mpich-devel \ | ||
| netcdf-openmpi-devel \ | ||
| ninja-build \ | ||
| openblas-devel \ | ||
| openkim-models \ | ||
| openmpi-devel \ | ||
| patch \ | ||
| platform-python-devel \ | ||
| python3-virtualenv \ | ||
| readline-devel \ | ||
| texlive-anysize \ | ||
| texlive-capt-of \ | ||
| texlive-collection-latex \ | ||
| texlive-collection-latexrecommended \ | ||
| texlive-dvipng \ | ||
| texlive-fncychap \ | ||
| texlive-framed \ | ||
| texlive-latex \ | ||
| texlive-latex-bin \ | ||
| texlive-latex-fonts \ | ||
| texlive-latexconfig \ | ||
| texlive-lualatex-math \ | ||
| texlive-needspace \ | ||
| texlive-pslatex \ | ||
| texlive-tabulary \ | ||
| texlive-titlesec \ | ||
| texlive-upquote \ | ||
| texlive-wrapfig \ | ||
| valgrind \ | ||
| vim-enhanced \ | ||
| voro++-devel \ | ||
| which \ | ||
| zstd && \ | ||
| dnf clean all | ||
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| ENV PLUMED_VERSION=2.6.1 | ||
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| # manually install Plumed | ||
| RUN . /etc/profile && \ | ||
| module load mpi && \ | ||
| mkdir plumed && \ | ||
| cd plumed && \ | ||
| curl -L -o plumed.tar.gz https://github.com/plumed/plumed2/releases/download/v${PLUMED_VERSION}/plumed-src-${PLUMED_VERSION}.tgz && \ | ||
| tar -xzf plumed.tar.gz && \ | ||
| cd plumed-${PLUMED_VERSION} && \ | ||
| ./configure --disable-doc --prefix=/usr && \ | ||
| make -j 4 && \ | ||
| make install && \ | ||
| mv -v /usr/lib/pkgconfig/plumed* /usr/share/pkgconfig/ && \ | ||
| cd ../../ && \ | ||
| rm -rvf plumed | ||
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| ENV LC_ALL=C | ||
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| # restrict OpenMPI to shared memory comm by default | ||
| ENV OMPI_MCA_btl="tcp,self" | ||
| # do not warn about unused components as this messes up testing | ||
| ENV OMPI_MCA_btl_base_warn_component_unused="0" | ||
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| # create missing readline pkgconfig file | ||
| COPY readline.pc /usr/lib64/pkgconfig/readline.pc | ||
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| COPY entrypoint.sh /entrypoint.sh | ||
| ENTRYPOINT ["/entrypoint.sh"] | ||
| CMD ["/bin/bash"] |
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,12 @@ | ||
| prefix=/usr | ||
| exec_prefix=/usr | ||
| libdir=/usr/lib64 | ||
| includedir=/usr/include | ||
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| Name: Readline | ||
| Description: GNU Readline library for command line editing | ||
| URL: http://tiswww.cwru.edu/php/chet/readline/rltop.html | ||
| Version: 6.2 | ||
| Requires.private: ncurses | ||
| Libs: -L\${libdir} -lreadline | ||
| Cflags: -I\${includedir}/readline |
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| Original file line number | Diff line number | Diff line change |
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| prefix=/usr/i686-w64-mingw32/sys-root/mingw | ||
| exec_prefix=/usr/i686-w64-mingw32/sys-root/mingw | ||
| libdir=/usr/i686-w64-mingw32/sys-root/mingw/lib | ||
| includedir=/usr/i686-w64-mingw32/sys-root/mingw/include | ||
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| Name: Termcap | ||
| Description: GNU/MinGW terminal feature database | ||
| URL: ftp://ftp.gnu.org/gnu/termcap/ | ||
| Version: 1.3 | ||
| Libs: -L\${libdir} -ltermcap | ||
| Cflags: |
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| prefix=/usr/x86_64-w64-mingw32/sys-root/mingw | ||
| exec_prefix=/usr/x86_64-w64-mingw32/sys-root/mingw | ||
| libdir=/usr/x86_64-w64-mingw32/sys-root/mingw/lib | ||
| includedir=/usr/x86_64-w64-mingw32/sys-root/mingw/include | ||
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| Name: Termcap | ||
| Description: GNU/MinGW terminal feature database | ||
| URL: ftp://ftp.gnu.org/gnu/termcap/ | ||
| Version: 1.3 | ||
| Libs: -L\${libdir} -ltermcap | ||
| Cflags: |
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