working I think

Signed-off-by: vsoch <[email protected]>

lammps-intel-mpi-rocky/Dockerfile

@@ -71,15 +71,18 @@ RUN . /opt/intel/mpi/latest/env/vars.sh  && \
     cmake ../cmake -DCMAKE_INSTALL_PREFIX:PATH=/usr -DPKG_REAXFF=yes -DBUILD_MPI=yes -DPKG_OPT=yes -DFFT=FFTW3 -DCMAKE_PREFIX_PATH=/opt/intel/mpi/2021.8.0 -DCMAKE_PREFIX_PATH=/usr/lib/x86_64-linux-gnu && \
     make && \
     make install
+
+# sshd
+RUN sed -i 's/^\(UsePAM yes\)/# \1/' /etc/ssh/sshd_config; \
+    ssh-keygen -q -t rsa -b 2048 -f /etc/ssh/ssh_host_rsa_key -N '' && \
+    ssh-keygen -q -t ecdsa -f /etc/ssh/ssh_host_ecdsa_key -N '' && \
+    ssh-keygen -t dsa -f /etc/ssh/ssh_host_ed25519_key  -N '';
 
+WORKDIR /opt/lammps/examples/reaxff/HNS
+
 # Hack for ssh for now...
 RUN echo "        LogLevel ERROR" >> /etc/ssh/ssh_config && \
     echo "        StrictHostKeyChecking no" >> /etc/ssh/ssh_config && \
-    echo "        UserKnownHostsFile=/dev/null" >> /etc/ssh/ssh_config && \
-    cd /root && \
-    mkdir -p /run/sshd && \
-    ssh-keygen -t rsa -N "" -f /root/.ssh/id_rsa && chmod og+rX . && \
-    cd .ssh && cat id_rsa.pub > authorized_keys && chmod 644 authorized_keys
+    echo "        UserKnownHostsFile=/dev/null" >> /etc/ssh/ssh_config
 
 EXPOSE 22
-WORKDIR /opt/lammps/examples/reaxff/HNS