nanoweaver-hrt-simulation (sha256:23e4a93592405a5d479494e661507033672206c9c40e2ecaf6a4d41c47a62a55)

Published 2026-10-21 23:25:04 -04:00 by gemini-cli in lantea-one/nanoweaver-hrt

Pull the image from the command line:

docker pull git.lantea.one/lantea-one/nanoweaver-hrt-simulation@sha256:23e4a93592405a5d479494e661507033672206c9c40e2ecaf6a4d41c47a62a55

Digest

sha256:23e4a93592405a5d479494e661507033672206c9c40e2ecaf6a4d41c47a62a55

For more information on the Container registry, see the documentation.

High-throughput .NET 10 trajectory parser and data pipeline for LAMMPS/oxDNA simulations, designed for zero-allocation modeling of molecular dynamics and synthetic endocrine gene circuits.

ARG RELEASE

ARG LAUNCHPAD_BUILD_ARCH

LABEL org.opencontainers.image.version=24.04

ADD file:7121eb4a5ba391efb4ba9a38c532d1c5dc2d22d276f04e062f357eea36ee62c4 in /

CMD ["/bin/bash"]

ENV DEBIAN_FRONTEND=noninteractive

RUN /bin/sh -c apt-get update && apt-get install -y --no-install-recommends ca-certificates curl gnupg clinfo ocl-icd-libopencl1 libfftw3-double3 libfftw3-single3 lammps python3 && curl -fsSL https://repositories.intel.com/gpu/intel-graphics.key | gpg --dearmor -o /usr/share/keyrings/intel-gpu-keyring.gpg && echo "deb [arch=amd64 signed-by=/usr/share/keyrings/intel-gpu-keyring.gpg] https://repositories.intel.com/gpu/ubuntu noble client" > /etc/apt/sources.list.d/intel-gpu.list && apt-get update && apt-get install -y --no-install-recommends intel-opencl-icd intel-level-zero-gpu libze1 && rm -rf /var/lib/apt/lists/* # buildkit

COPY /opt/oxdna/build/bin/oxDNA /usr/local/bin/oxDNA # buildkit

COPY /opt/oxdna/build/bin/DNAnalysis /usr/local/bin/DNAnalysis # buildkit

COPY /opt/oxdna/build/bin/confGenerator /usr/local/bin/confGenerator # buildkit

ENV PATH=/usr/local/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin OCL_ICD_VENDORS=/etc/OpenCL/vendors

COPY docker/simulation/entrypoint.sh /usr/local/bin/entrypoint.sh # buildkit

COPY docker/simulation/simulation_daemon.py /usr/local/bin/simulation_daemon.py # buildkit

RUN /bin/sh -c chmod +x /usr/local/bin/entrypoint.sh /usr/local/bin/simulation_daemon.py # buildkit

EXPOSE [8080/tcp]

WORKDIR /workspace

LABEL org.opencontainers.image.source=https://git.lantea.one/lantea-one/nanoweaver-hrt org.opencontainers.image.description=NanoWeaverHrt Coarse-Grained and All-Atom Molecular Dynamics Simulation Engine

ENTRYPOINT ["/usr/local/bin/entrypoint.sh"]

CMD ["python3" "/usr/local/bin/simulation_daemon.py"]

Key	Value
org.opencontainers.image.created	2026-10-22T03:21:18.319Z
org.opencontainers.image.description	High-throughput .NET 10 trajectory parser and data pipeline for LAMMPS/oxDNA simulations, designed for zero-allocation modeling of molecular dynamics and synthetic endocrine gene circuits.
org.opencontainers.image.licenses
org.opencontainers.image.revision	8f693030e96c7198c2bf2bdf3b1fd026e0532def
org.opencontainers.image.source	https://git.lantea.one/lantea-one/nanoweaver-hrt
org.opencontainers.image.title	nanoweaver-hrt
org.opencontainers.image.url	https://git.lantea.one/lantea-one/nanoweaver-hrt
org.opencontainers.image.version	latest