Add Fedora 38 container

Author: rbberger

.github/workflows/continuous-integration-workflow.yml

@@ -6,32 +6,23 @@ on:
   pull_request:
     branches:
       - master
-  schedule:
-    - cron:  '0 1 * * FRI'
 
 jobs:
   CI:
     strategy:
       matrix:
         config:
-          - {tag: 'ubuntu18.04', dockerfile: 'docker/ubuntu18.04.dockerfile'}
-          - {tag: 'ubuntu18.04_devcontainer', dockerfile: 'docker/ubuntu18.04_devcontainer.dockerfile'}
-          - {tag: 'ubuntu20.04', dockerfile: 'docker/ubuntu20.04.dockerfile'}
-          - {tag: 'ubuntu20.04_devcontainer', dockerfile: 'docker/ubuntu20.04_devcontainer.dockerfile'}
-          - {tag: 'centos7', dockerfile: 'docker/centos7.dockerfile'}
-          - {tag: 'rockylinux8', dockerfile: 'docker/rockylinux8.dockerfile'}
-          - {tag: 'fedora34_mingw', dockerfile: 'docker/fedora34_mingw.dockerfile'}
-          - {tag: 'fedora35_mingw', dockerfile: 'docker/fedora35_mingw.dockerfile'}
+          - {tag: 'fedora38_mingw', dockerfile: 'docker/fedora38_mingw.dockerfile'}
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@master
       - name: Log in to Docker Hub
-        uses: docker/login-action@f054a8b539a109f9f41c372932f1ae047eff08c9
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKER_USERNAME }}
           password: ${{ secrets.DOCKER_PASSWORD }}
       - name: Build Docker images
-        uses: docker/build-push-action@v3
+        uses: docker/build-push-action@v5
         with:
           tags: lammps/buildenv:${{ matrix.config.tag }}
           file: ${{ matrix.config.dockerfile }}

docker/fedora38_mingw.dockerfile

@@ -0,0 +1,75 @@
+FROM fedora:38
+
+RUN dnf -y update && \
+    dnf -y install vim-enhanced git file make cmake patch which file Lmod \
+           ninja-build clang clang-tools-extra libomp-devel libubsan libasan libtsan \
+           diffutils dos2unix findutils rsync python-devel libjpeg-devel libpng-devel \
+           ccache gcc-c++ gcc-gfortran gdb valgrind eigen3-devel openblas-devel \
+           openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
+           netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
+           readline-devel python3-pyyaml python3-Cython \
+           mingw-filesystem-base mingw32-nsis mingw-binutils-generic \
+           mingw32-filesystem mingw32-pkg-config \
+           mingw64-filesystem mingw64-pkg-config \
+           mingw32-crt mingw32-headers mingw32-binutils \
+           mingw64-crt mingw64-headers mingw64-binutils \
+           mingw32-cpp mingw32-gcc mingw32-gcc-gfortran mingw32-gcc-c++ \
+           mingw64-cpp mingw64-gcc mingw64-gcc-gfortran mingw64-gcc-c++ \
+           mingw32-libgomp mingw64-libgomp \
+           mingw32-winpthreads mingw64-winpthreads \
+           mingw32-eigen3 mingw64-eigen3 \
+           mingw32-fftw mingw64-fftw \
+           mingw32-libjpeg-turbo mingw64-libjpeg-turbo \
+           mingw32-libpng mingw64-libpng \
+           mingw32-python3 mingw64-python3 \
+           mingw32-python3-numpy mingw64-python3-numpy \
+           mingw32-python3-pyyaml mingw64-python3-pyyaml \
+           mingw32-python3-setuptools mingw64-python3-setuptools \
+           mingw32-readline mingw64-readline \
+           mingw32-termcap mingw64-termcap \
+           mingw32-zlib mingw64-zlib \
+           mingw32-zstd mingw64-zstd \
+           enchant python3-virtualenv doxygen latexmk \
+           texlive-latex-fonts texlive-pslatex texlive-collection-latexrecommended \
+           texlive-latex texlive-latexconfig doxygen-latex texlive-collection-latex \
+           texlive-latex-bin texlive-lualatex-math texlive-fncychap texlive-tabulary \
+           texlive-framed texlive-wrapfig texlive-upquote texlive-capt-of texlive-pict2e \
+           texlive-needspace texlive-titlesec texlive-anysize texlive-dvipng texlive-xindy \
+           blas-devel lapack-devel libyaml-devel openkim-models kim-api-devel \
+           zstd libzstd-devel yaml-cpp-devel && \
+        dnf clean all
+
+# install NSIS EnVar plugin
+RUN curl -L -o EnVar_plugin.zip https://nsis.sourceforge.io/mediawiki/images/7/7f/EnVar_plugin.zip && \
+    unzip -d /usr/share/nsis EnVar_plugin.zip && \
+    rm EnVar_plugin.zip
+
+ENV PLUMED_VERSION=2.8.2
+
+RUN source /usr/share/lmod/lmod/init/profile && \
+    module purge && \
+    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/lib64/pkgconfig/plumed* /usr/share/pkgconfig/ && \
+    cd ../../ && \
+    rm -rvf plumed
+
+# 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"
+
+# create missing termcap pkgconfig files
+COPY termcap_i686.pc   /usr/i686-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc
+COPY termcap_x86_64.pc /usr/x86_64-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc
+
+COPY entrypoint.sh /entrypoint.sh
+ENTRYPOINT ["/entrypoint.sh"]
+CMD ["/bin/bash"]