diff --git a/Dockerfile b/Dockerfile index cacbd13b..86569ed7 100644 --- a/Dockerfile +++ b/Dockerfile @@ -123,7 +123,8 @@ RUN rm -rf /app/src /app/scripts /app/experiments /app/analyses \ && mkdir -p /home/dev/workspace COPY --chmod=755 run_experiments run_experiments.sh run_all_models.sh run_analysis run_analysis.sh /usr/local/bin/ -RUN printf '\n# ACTL scientist workflow: land in the synced Sampleworks checkout.\nif [[ $- == *i* ]] && [ -z "${SAMPLEWORKS_NO_AUTO_CD:-}" ] && [ -d /home/dev/workspace ]; then\n cd /home/dev/workspace\nfi\n' >> /root/.bashrc +RUN printf '\n# ACTL scientist workflow: land in the synced Sampleworks checkout.\nif [[ $- == *i* ]] && [ -z "${SAMPLEWORKS_NO_AUTO_CD:-}" ] && [ -d /home/dev/workspace ]; then\n cd /home/dev/workspace\nfi\n' \ + | tee -a /root/.bashrc /home/dev/.bashrc >/dev/null # ============================================================================ # Public runtime: regular Sampleworks image for the public registry @@ -134,7 +135,16 @@ ENV BOLTZ1_CHECKPOINT=/checkpoints/boltz1_conf.ckpt \ BOLTZ2_CHECKPOINT=/checkpoints/boltz2_conf.ckpt \ CCD_PATH=/checkpoints/ccd.pkl \ RF3_CHECKPOINT=/checkpoints/rf3_foundry_01_24_latest.ckpt \ - PROTENIX_CHECKPOINT=/checkpoints/protenix_base_default_v0.5.0.pt + PROTENIX_CHECKPOINT=/checkpoints/protenix_base_default_v0.5.0.pt \ + HOME=/home/dev \ + XDG_CONFIG_HOME=/home/dev/.config \ + XDG_CACHE_HOME=/home/dev/.cache \ + XDG_DATA_HOME=/home/dev/.local/share \ + SHELL=/bin/bash + +RUN mkdir -p /home/dev/.config /home/dev/.cache /home/dev/.local/share /home/dev/workspace + +WORKDIR /home/dev ENTRYPOINT ["entrypoint.sh"] CMD ["--help"] diff --git a/Dockerfile.astera b/Dockerfile.astera index c8e06c9b..84835e95 100644 --- a/Dockerfile.astera +++ b/Dockerfile.astera @@ -45,6 +45,8 @@ COPY --from=ext-cli /ext /usr/local/bin/ext RUN chmod 0755 /usr/local/bin/ext +WORKDIR /home/dev + # ACTL workspace pods intentionally keep the inherited root runtime user: the # prebuilt /app/.pixi environments and shared PVC workflows are currently # root-oriented, and switching USER here would break existing scientist runs.