Synchronize Dockerfiles with triqs

TRIQS · Nov 4, 2024 · ef4c7dd · ef4c7dd
1 parent 393cc4e
commit ef4c7dd
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Showing 4 changed files with 43 additions and 43 deletions.
diff --git a/packaging/Dockerfile.msan b/packaging/Dockerfile.msan
@@ -1,14 +1,14 @@
-FROM --platform=linux/amd64 ubuntu:23.04
+FROM --platform=linux/amd64 ubuntu:24.04
 ARG APPNAME=nda
-ARG LLVM=17
+ARG LLVM=18
 ARG NTHREAD=10
 
 RUN apt-get update && apt-get install -y lsb-release wget software-properties-common && \
-      wget -O /tmp/llvm.sh https://apt.llvm.org/llvm.sh && chmod +x /tmp/llvm.sh && /tmp/llvm.sh ${LLVM} && \
+      #wget -O /tmp/llvm.sh https://apt.llvm.org/llvm.sh && chmod +x /tmp/llvm.sh && /tmp/llvm.sh ${LLVM} && \
       DEBIAN_FRONTEND=noninteractive apt-get install -y \
       clang-${LLVM} \
       cmake \
-      g++-12 \
+      g++ \
       gfortran \
       git \
       vim \
@@ -32,7 +32,7 @@ RUN apt-get update && apt-get install -y lsb-release wget software-properties-co
       python3-pip \
       python3-scipy
 
-ENV PYTHON_VERSION=3.11 \
+ENV PYTHON_VERSION=3.12 \
     CC=clang-${LLVM} CXX=clang++-${LLVM} \
     LLVM_ROOT=/usr/lib/llvm-${LLVM}
 
@@ -57,16 +57,16 @@ ENV CXXFLAGS="$MSAN_FLAGS -Wno-unused-command-line-argument $CUSTOM_LIBCXX_FLAGS
     MSAN_SYMBOLIZER_PATH=${LLVM_ROOT}/bin/llvm-symbolizer
 
 # Static zlib using fPIC to be linked into hdf5
-ADD https://www.zlib.net/zlib-1.3.tar.gz /tmp/
-RUN cd /tmp && tar xf /tmp/zlib-1.3.tar.gz && cd zlib-1.3 && \
+ADD https://www.zlib.net/zlib-1.3.1.tar.gz /tmp/
+RUN cd /tmp && tar xf /tmp/zlib-1.3.1.tar.gz && cd zlib-1.3.1 && \
       CFLAGS="-fPIC $CFLAGS" ./configure --prefix=/opt/zlib && make -j${NTHREAD} && make install && \
       cd /tmp #&& rm -rf /tmp/zlib*
 
 # HDF5
-ADD https://github.com/HDFGroup/hdf5/archive/refs/tags/hdf5-1_14_2.tar.gz /tmp/
-RUN cd /tmp && tar xf /tmp/hdf5-1_14_2.tar.gz && chmod 1777 . && \
+ADD https://github.com/HDFGroup/hdf5/archive/refs/tags/hdf5-1_14_3.tar.gz /tmp/
+RUN cd /tmp && tar xf /tmp/hdf5-1_14_3.tar.gz && chmod 1777 . && \
       mkdir build && cd build && \
-      cmake /tmp/hdf5-hdf5-1_14_2 -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX=/opt/hdf5 \
+      cmake /tmp/hdf5-hdf5-1_14_3 -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX=/opt/hdf5 \
                                                -DHDF5_ENABLE_Z_LIB_SUPPORT=ON -DZLIB_LIBRARY=/opt/zlib/lib/libz.a -DZLIB_INCLUDE_DIR:PATH=/opt/zlib/include && \
       make -j${NTHREAD} && make install && \
       cd /tmp && rm -rf /tmp/hdf5-* /tmp/build
@@ -79,17 +79,17 @@ RUN cd /tmp && tar xf /tmp/libevent-2.1.12-stable.tar.gz && cd libevent-2.1.12-s
       cd /tmp && rm -rf /tmp/libevent*
 
 # hwloc
-ADD https://download.open-mpi.org/release/hwloc/v2.9/hwloc-2.9.3.tar.bz2 /tmp/
+ADD https://download.open-mpi.org/release/hwloc/v2.10/hwloc-2.10.0.tar.bz2 /tmp/
 COPY packaging/hwloc.patch /tmp/
-RUN cd /tmp && tar xf /tmp/hwloc-2.9.3.tar.bz2 && cd hwloc-2.9.3 && patch -p0 -i /tmp/hwloc.patch && \
+RUN cd /tmp && tar xf /tmp/hwloc-2.10.0.tar.bz2 && cd hwloc-2.10.0 && patch -p0 -i /tmp/hwloc.patch && \
       ./configure --prefix=/opt/openmpi --enable-shared && make -j${NTHREAD} && make install && \
       cd /tmp && rm -rf /tmp/hwloc*
 
 # OpenMPI
-ADD https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.5.tar.bz2 /tmp/
-RUN cd /tmp && tar xf /tmp/openmpi-4.1.5.tar.bz2 && cd openmpi-4.1.5 && \
+ADD https://download.open-mpi.org/release/open-mpi/v5.0/openmpi-5.0.2.tar.bz2 /tmp/
+RUN cd /tmp && tar xf /tmp/openmpi-5.0.2.tar.bz2 && cd openmpi-5.0.2 && \
       ./configure --prefix=/opt/openmpi --enable-shared --disable-mpi-fortran --disable-pty-support --with-hwloc=/opt/openmpi --with-libevent=/opt/openmpi && make -j${NTHREAD} && make install && \
-      cd /tmp && rm -rf /tmp/openmpi-4.1.5*
+      cd /tmp && rm -rf /tmp/openmpi-5.0.2*
 ENV MPI_HOME=/opt/openmpi \
     MPICC=/opt/openmpi/bin/mpicc
 
@@ -104,7 +104,9 @@ ENV SRC=/src \
     BUILD=/home/build \
     INSTALL=/usr/local \
     PYTHONPATH=/usr/local/lib/python${PYTHON_VERSION}/site-packages \
-    CMAKE_PREFIX_PATH=/usr/lib/cmake/$APPNAME
+    CMAKE_PREFIX_PATH=/usr/lib/cmake/$APPNAME \
+    OPENBLAS_NUM_THREADS=1 \
+    MKL_NUM_THREADS=1
 
 COPY . ${SRC}/$APPNAME
 WORKDIR ${BUILD}/$APPNAME

diff --git a/packaging/Dockerfile.sanitize b/packaging/Dockerfile.sanitize
@@ -1,18 +1,17 @@
-FROM ubuntu:22.04
-ARG LLVM=15
+FROM ubuntu:24.04
+ARG LLVM=18
 
 RUN apt-get update && apt-get install -y lsb-release wget software-properties-common && \
-      wget -O /tmp/llvm.sh https://apt.llvm.org/llvm.sh && chmod +x /tmp/llvm.sh && /tmp/llvm.sh ${LLVM} && \
+      #wget -O /tmp/llvm.sh https://apt.llvm.org/llvm.sh && chmod +x /tmp/llvm.sh && /tmp/llvm.sh ${LLVM} && \
       DEBIAN_FRONTEND=noninteractive apt-get install -y \
       clang-${LLVM} \
       cmake \
-      g++-12 \
+      g++ \
       gfortran \
       git \
       vim \
       lldb-${LLVM} \
       hdf5-tools \
-      libblas-dev \
       libboost-dev \
       libclang-${LLVM}-dev \
       libc++-${LLVM}-dev \
@@ -22,7 +21,7 @@ RUN apt-get update && apt-get install -y lsb-release wget software-properties-co
       libgfortran5 \
       libgmp-dev \
       libhdf5-dev \
-      liblapack-dev \
+      libopenblas-dev \
       libopenmpi-dev \
       openmpi-bin \
       openmpi-common \
@@ -36,7 +35,7 @@ RUN apt-get update && apt-get install -y lsb-release wget software-properties-co
       python3-pip \
       python3-scipy
 
-ENV PYTHON_VERSION=3.10 \
+ENV PYTHON_VERSION=3.12 \
   CC=clang-${LLVM} CXX=clang++-${LLVM} CXXFLAGS="-stdlib=libc++" \
   ASAN_SYMBOLIZER_PATH=/usr/lib/llvm-${LLVM}/bin/llvm-symbolizer \
   ASAN_OPTIONS=symbolize=1:detect_leaks=0:alloc_dealloc_mismatch=0 \

diff --git a/packaging/Dockerfile.ubuntu-clang b/packaging/Dockerfile.ubuntu-clang
@@ -1,19 +1,18 @@
-FROM ubuntu:22.04
-ARG LLVM=15
+FROM ubuntu:24.04
+ARG LLVM=18
 
 # This platform includes dependencies for building docs
 RUN apt-get update && apt-get install -y lsb-release wget software-properties-common && \
-      wget -O /tmp/llvm.sh https://apt.llvm.org/llvm.sh && chmod +x /tmp/llvm.sh && /tmp/llvm.sh ${LLVM} && \
+      #wget -O /tmp/llvm.sh https://apt.llvm.org/llvm.sh && chmod +x /tmp/llvm.sh && /tmp/llvm.sh ${LLVM} && \
       DEBIAN_FRONTEND=noninteractive apt-get install -y \
       clang-${LLVM} \
       cmake \
-      g++-12 \
+      g++ \
       gfortran \
       git \
       vim \
       lldb-${LLVM} \
       hdf5-tools \
-      libblas-dev \
       libboost-dev \
       libclang-${LLVM}-dev \
       libc++-${LLVM}-dev \
@@ -23,7 +22,7 @@ RUN apt-get update && apt-get install -y lsb-release wget software-properties-co
       libgfortran5 \
       libgmp-dev \
       libhdf5-dev \
-      liblapack-dev \
+      libopenblas-dev \
       libopenmpi-dev \
       openmpi-bin \
       openmpi-common \
@@ -35,15 +34,16 @@ RUN apt-get update && apt-get install -y lsb-release wget software-properties-co
       python3-matplotlib \
       python3-mpi4py \
       python3-numpy \
+      python3-numpydoc \
       python3-pip \
       python3-scipy \
-      python3-ipython && \
-      #python3-sphinx \
-      #python3-nbsphinx \
-      #python3-sphinx-rtd-theme && \
-      pip3 install myst-parser linkify-it-py && \
-      pip3 install sphinx==5.3.0 nbsphinx sphinx-rtd-theme
+      python3-ipython \
+      python3-sphinx \
+      python3-sphinx-rtd-theme \
+      python3-nbsphinx \
+      python3-myst-parser \
+      python3-linkify-it
 
-ENV PYTHON_VERSION=3.10 \
+ENV PYTHON_VERSION=3.12 \
     CC=clang-${LLVM} CXX=clang++-${LLVM} CXXFLAGS="-stdlib=libc++"
 RUN update-alternatives --install /usr/bin/clang clang /usr/bin/clang-${LLVM} 60 --slave /usr/bin/clang++ clang++ /usr/bin/clang++-${LLVM} --slave /usr/bin/clang-cpp clang-cpp /usr/bin/clang-cpp-${LLVM}
diff --git a/packaging/Dockerfile.ubuntu-gcc b/packaging/Dockerfile.ubuntu-gcc
@@ -1,20 +1,19 @@
-FROM ubuntu:22.04
+FROM ubuntu:24.04
 
 RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \
       cmake \
-      g++-12 \
+      g++ \
       gfortran \
       git \
       vim \
-      lldb-13 \
+      lldb \
       hdf5-tools \
-      libblas-dev \
       libboost-dev \
       libfftw3-dev \
       libgfortran5 \
       libgmp-dev \
       libhdf5-dev \
-      liblapack-dev \
+      libopenblas-dev \
       libopenmpi-dev \
       openmpi-bin \
       openmpi-common \
@@ -27,5 +26,5 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \
       python3-pip \
       python3-scipy
 
-ENV PYTHON_VERSION=3.10 \
-    CC=gcc-12 CXX=g++-12
+ENV PYTHON_VERSION=3.12 \
+    CC=gcc CXX=g++