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mmh42/gromacs:2024.3-cuda12.6.1

Manifest digest

sha256:0ee59a59a2eba16744cc1e352867eddaef6e473db8cd4330973eb452d1226300

OS/ARCH

linux/amd64

Compressed size

1.41 GB

Last pushed

almost 2 years by mmh42

Type

Image

Manifest digest

sha256:0ee59a59a2eba16744cc1e352867eddaef6e473db8cd4330973eb452d1226300

Image Layers

Image Layers

1ARG RELEASE0 B
2ARG LAUNCHPAD_BUILD_ARCH0 B
3LABEL org.opencontainers.image.ref.name=ubuntu0 B
4LABEL org.opencontainers.image.version=22.040 B
5ADD file ... in / 28.17 MB
6CMD ["/bin/bash"]0 B
7ENV NVARCH=x86_640 B
8ENV NVIDIA_REQUIRE_CUDA=cuda>=12.6 brand=unknown,driver>=470,driver<471 brand=grid,driver>=470,driver<471 brand=tesla,driver>=470,driver<4710 B
9ENV NV_CUDA_CUDART_VERSION=12.6.68-10 B
10ARG TARGETARCH0 B
11LABEL maintainer=NVIDIA CORPORATION <[email protected]>0 B
12RUN |1 TARGETARCH=amd64 /bin/sh -c4.41 MB
13ENV CUDA_VERSION=12.6.10 B
14RUN |1 TARGETARCH=amd64 /bin/sh -c54.67 MB
15RUN |1 TARGETARCH=amd64 /bin/sh -c184 B
16ENV PATH=/usr/local/nvidia/bin:/usr/local/cuda/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin0 B
17ENV LD_LIBRARY_PATH=/usr/local/nvidia/lib:/usr/local/nvidia/lib640 B
18COPY NGC-DL-CONTAINER-LICENSE / # buildkit6.72 KB
19ENV NVIDIA_VISIBLE_DEVICES=all0 B
20ENV NVIDIA_DRIVER_CAPABILITIES=compute,utility0 B
21ARG CERT_SOURCE=/etc/ssl/certs/ca-certificates.crt0 B
22ARG MAMBA_USER=mambauser0 B
23ARG MAMBA_USER_ID=574390 B
24ARG MAMBA_USER_GID=574390 B
25ENV MAMBA_USER=mambauser0 B
26ENV MAMBA_USER_ID=574390 B
27ENV MAMBA_USER_GID=574390 B
28ENV LANG=C.UTF-8 LC_ALL=C.UTF-80 B
29ENV ENV_NAME=base0 B
30ENV MAMBA_ROOT_PREFIX=/opt/conda0 B
31ENV MAMBA_EXE=/bin/micromamba0 B
32COPY /bin/micromamba /bin/micromamba # buildkit6.33 MB
33COPY /etc/ssl/certs/ca-certificates.crt /etc/ssl/certs/ca-certificates.crt # buildkit123.52 KB
34COPY _dockerfile_initialize_user_accounts.sh /usr/local/bin/_dockerfile_initialize_user_accounts.sh # buildkit559 B
35COPY _dockerfile_setup_root_prefix.sh /usr/local/bin/_dockerfile_setup_root_prefix.sh # buildkit292 B
36RUN |4 CERT_SOURCE=/etc/ssl/certs/ca-certificates.crt MAMBA_USER=mambauser MAMBA_USER_ID=5743922.06 KB
37USER mambauser0 B
38WORKDIR /tmp32 B
39COPY _entrypoint.sh /usr/local/bin/_entrypoint.sh # buildkit693 B
40COPY _activate_current_env.sh /usr/local/bin/_activate_current_env.sh # buildkit654 B
41ENTRYPOINT ["/usr/local/bin/_entrypoint.sh"]0 B
42CMD ["/bin/bash"]0 B
43COPY _dockerfile_shell.sh /usr/local/bin/_dockerfile_shell.sh # buildkit353 B
44SHELL [/usr/local/bin/_dockerfile_shell.sh]0 B
45USER root0 B
46USER root0 B
47RUN /usr/local/bin/_dockerfile_shell.sh apt-get update &&331.33 KB
48USER mambauser0 B
49ENV PYTHONUNBUFFERED=10 B
50RUN /usr/local/bin/_dockerfile_shell.sh CONDA_OVERRIDE_CUDA="12.4" micromamba install1.32 GB
51COPY --chown=mambauser:mambauser patch-gromacs-script.patch /tmp/patch-gromacs-script.patch #397 B
52RUN /usr/local/bin/_dockerfile_shell.sh patch /opt/conda/bin.AVX2_256/GMXRC.bash <1.48 KB
53WORKDIR /opt/sim120 B

Command

 ARG RELEASE