diff --git a/docker/master_intelmpi_native_gnu_psmp.Dockerfile b/docker/master_intelmpi_native_gnu_psmp.Dockerfile
new file mode 100644
index 0000000..2c1b7da
--- /dev/null
+++ b/docker/master_intelmpi_native_gnu_psmp.Dockerfile
@@ -0,0 +1,73 @@
+FROM rockylinux:9
+
+RUN ( \
+  echo "[oneAPI]" && \
+  echo "name=Intel oneAPI repository" && \
+  echo "baseurl=https://yum.repos.intel.com/oneapi" && \
+  echo "enabled=1" && \
+  echo "gpgcheck=1" && \
+  echo "repo_gpgcheck=1" && \
+  echo "gpgkey=https://yum.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB" \
+) >/etc/yum.repos.d/oneAPI.repo
+
+RUN dnf upgrade -y
+RUN dnf install -y \
+  gcc-gfortran gcc-c++ git procps which bzip2 \
+  intel-oneapi-mpi intel-oneapi-mpi-devel \
+  intel-oneapi-mkl intel-oneapi-mkl-devel \
+  cmake automake libtool wget diffutils \
+  gmp-devel boost-devel
+
+ARG MYENV=/root/my.env
+RUN ( \
+  echo "source /opt/intel/oneapi/mpi/latest/env/vars.sh" && \
+  echo "source /opt/intel/oneapi/mkl/latest/env/vars.sh" \
+) >$MYENV
+
+WORKDIR /root
+
+# XCONFIGURE
+RUN wget https://github.com/hfp/xconfigure/raw/master/configure-get.sh
+RUN chmod +x configure-get.sh
+
+# LIBINT
+RUN wget https://github.com/evaleev/libint/archive/refs/tags/v2.9.0.tar.gz
+RUN tar xvf v2.9.0.tar.gz && rm v2.9.0.tar.gz
+RUN cd libint-2.9.0 && source $MYENV && ./autogen.sh && ./configure \
+  --enable-eri=1 --enable-eri2=1 --enable-eri3=1 --with-max-am=6 \
+  --with-eri-max-am=6,5 --with-eri2-max-am=8,7 --with-eri3-max-am=8,7 --with-opt-am=3 \
+  --with-libint-exportdir=libint-cp2k --disable-unrolling --enable-fma \
+  --with-real-type=libint2::simd::VectorAVXDouble \
+  --with-cxxgen-optflags="-march=native -mtune=native"
+RUN cd libint-2.9.0 && source $MYENV && make -j $(nproc) export
+RUN cd libint-2.9.0 && make clean
+
+# LIBINT-CP2K
+RUN tar xvf libint-2.9.0/libint-cp2k.tgz
+RUN cd libint-cp2k && ../configure-get.sh libint
+RUN cd libint-cp2k && source $MYENV && ./configure-libint-gnu.sh
+RUN cd libint-cp2k && source $MYENV && make -j $(nproc) install
+RUN cd libint-cp2k && make clean
+
+# LIBXC
+RUN wget https://gitlab.com/libxc/libxc/-/archive/6.2.2/libxc-6.2.2.tar.bz2
+RUN tar xvf libxc-6.2.2.tar.bz2 && rm libxc-6.2.2.tar.bz2
+RUN cd libxc-6.2.2 && ../configure-get.sh libxc
+RUN cd libxc-6.2.2 && source $MYENV && ./configure-libxc-gnu.sh
+RUN cd libxc-6.2.2 && source $MYENV && make -j $(nproc) install
+RUN cd libxc-6.2.2 && make distclean
+
+# LIBXSMM
+RUN git clone https://github.com/libxsmm/libxsmm.git
+RUN cd libxsmm && git fetch && git checkout 379d90b6e55c4dd9263574d2066e9b038cb628ea
+#RUN cd libxsmm && source $MYENV && make GNU=1 -j $(nproc)
+
+# CP2K
+RUN git clone https://github.com/cp2k/cp2k.git
+RUN cd cp2k && git pull && git submodule update --init --recursive
+RUN cd cp2k/exts/dbcsr && git submodule update --init --recursive
+RUN cd cp2k/exts/dbcsr && git checkout develop && git pull
+RUN cd cp2k && ../configure-get.sh cp2k
+RUN cd cp2k && source $MYENV && make -j $(nproc) \
+  ARCH=Linux-x86-64-intelx VERSION=psmp cp2k \
+  GNU=1