Fixed RMG-Py installation using Micromamba Docker Image

devtools/Dockerfile_rmgpy

@@ -16,8 +16,6 @@ RUN usermod "--login=${NEW_MAMBA_USER}" "--home=/home/${NEW_MAMBA_USER}" \
         --move-home "-u ${NEW_MAMBA_USER_ID}" "${MAMBA_USER}" && \
     groupmod "--new-name=${NEW_MAMBA_USER}" \
              "-g ${NEW_MAMBA_USER_GID}" "${MAMBA_USER}" && \
-    # Update the expected value of MAMBA_USER for the
-    # _entrypoint.sh consistency check.
     echo "${NEW_MAMBA_USER}" > "/etc/arg_mamba_user" && \
     :
 
@@ -41,11 +39,12 @@ RUN apt-get update && apt-get install -y \
     make \
     libgomp1\
     libxrender1 \
+    sudo \
     && apt-get clean \
     && apt-get autoclean \
     && apt-get autoremove -y \
-    && rm -rf /var/lib/apt/lists/*
-
+    && rm -rf /var/lib/apt/lists/*\
+    && echo "${NEW_MAMBA_USER} ALL=(ALL) NOPASSWD:ALL" >> /etc/sudoers
 # Change user to the non-root user
 USER $MAMBA_USER
 
@@ -64,6 +63,7 @@ WORKDIR /home/rmguser/Code/RMG-Py
 
 # Install RMG-Py and then clean up the micromamba cache
 RUN micromamba create -y -f environment.yml && \
+    micromamba install -n rmg_env -c conda-forge conda && \
     micromamba clean --all -f -y
 
 # Activate the RMG environment
@@ -88,7 +88,7 @@ RUN make \
 # The extra arguments are required to install PyCall and RMS in this Dockerfile. Will not work without them.
 # Final command is to compile the RMS during Docker build - This will reduce the time it takes to run RMS for the first time
 RUN touch /opt/conda/envs/rmg_env/condarc-julia.yml
-RUN CONDA_JL_CONDA_EXE=/bin/micromamba julia -e 'using Pkg;Pkg.add(PackageSpec(name="PyCall", rev="master")); Pkg.build("PyCall"); Pkg.add(PackageSpec(name="ReactionMechanismSimulator", rev="main"))' \
+RUN CONDA_JL_CONDA_EXE=/bin/micromamba julia -e 'ENV["CONDA_JL_CONDA_EXE"]="/opt/conda/envs/rmg_env/bin/conda";using Pkg;Pkg.add(PackageSpec(name="PyCall", rev="master")); Pkg.build("PyCall"); Pkg.add(PackageSpec(name="ReactionMechanismSimulator", rev="main"))' \
     && python -c "import julia; julia.install(); import diffeqpy; diffeqpy.install()" \
     && python-jl -c "from pyrms import rms"