Merge pull request #41 from CCPBioSim/build-fix

change uid and gid of containers

Author: jimboid

amber/Dockerfile

@@ -5,6 +5,29 @@ LABEL maintainer="James Gebbie-Rayet <james.gebbie@stfc.ac.uk>"
 ARG AIIDAVERSION=2.6.1
 ARG AMBERTOOLSVERSION=24.8
 ARG PYTHONVERSION=3.11
+ARG NEW_MAMBA_USER=aiida
+ARG NEW_MAMBA_USER_ID=1001
+ARG NEW_MAMBA_USER_GID=121
+USER root
+
+RUN if grep -q '^ID=alpine$' /etc/os-release; then \
+      # alpine does not have usermod/groupmod
+      apk add --no-cache --virtual temp-packages shadow; \
+    fi && \
+    usermod "--login=${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}" && \
+    if grep -q '^ID=alpine$' /etc/os-release; then \
+      # remove the packages that were only needed for usermod/groupmod
+      apk del temp-packages; \
+    fi && \
+    # Update the expected value of MAMBA_USER for the
+    # _entrypoint.sh consistency check.
+    echo "${NEW_MAMBA_USER}" > "/etc/arg_mamba_user" && \
+    :
+ENV MAMBA_USER=$NEW_MAMBA_USER
+USER $MAMBA_USER
 
 # Install dependencies
 RUN micromamba install -c conda-forge python=$PYTHONVERSION aiida-core=$AIIDAVERSION ambertools=$AMBERTOOLSVERSION && \

gromacs/Dockerfile

@@ -5,6 +5,29 @@ LABEL maintainer="James Gebbie-Rayet <james.gebbie@stfc.ac.uk>"
 ARG AIIDAVERSION=2.6.1
 ARG GMXVERSION=2025.4
 ARG PYTHONVERSION=3.11
+ARG NEW_MAMBA_USER=aiida
+ARG NEW_MAMBA_USER_ID=1001
+ARG NEW_MAMBA_USER_GID=121
+USER root
+
+RUN if grep -q '^ID=alpine$' /etc/os-release; then \
+      # alpine does not have usermod/groupmod
+      apk add --no-cache --virtual temp-packages shadow; \
+    fi && \
+    usermod "--login=${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}" && \
+    if grep -q '^ID=alpine$' /etc/os-release; then \
+      # remove the packages that were only needed for usermod/groupmod
+      apk del temp-packages; \
+    fi && \
+    # Update the expected value of MAMBA_USER for the
+    # _entrypoint.sh consistency check.
+    echo "${NEW_MAMBA_USER}" > "/etc/arg_mamba_user" && \
+    :
+ENV MAMBA_USER=$NEW_MAMBA_USER
+USER $MAMBA_USER
 
 # Install dependencies
 RUN micromamba install -c conda-forge python=$PYTHONVERSION aiida-core=$AIIDAVERSION gromacs=$GMXVERSION && \