mmh42/gromacs:2024.3-cuda12.4

Manifest digest

sha256:8ba353773563d7d7482375529027292419c343266cb0230bd59e1737ba19ea2e

OS/ARCH

linux/amd64

Compressed size

1.34 GB

Last pushed

almost 2 years by mmh42

Type

Image

Manifest digest

sha256:8ba353773563d7d7482375529027292419c343266cb0230bd59e1737ba19ea2e

Image Layers

Image Layers

1ADD file ... in / 3.46 MB

2CMD ["/bin/sh"]0 B

3ENV LANG=C.UTF-80 B

4RUN /bin/sh -c ALPINE_GLIBC_BASE_URL="https://github.com/sgerrand/alpine-pkg-glibc/releases/download" &&3.2 MB

5ARG CERT_SOURCE=/etc/ssl/certs/ca-certificates.crt0 B

6ARG MAMBA_USER=mambauser0 B

7ARG MAMBA_USER_ID=574390 B

8ARG MAMBA_USER_GID=574390 B

9ENV MAMBA_USER=mambauser0 B

10ENV MAMBA_USER_ID=574390 B

11ENV MAMBA_USER_GID=574390 B

12ENV LANG=C.UTF-8 LC_ALL=C.UTF-80 B

13ENV ENV_NAME=base0 B

14ENV MAMBA_ROOT_PREFIX=/opt/conda0 B

15ENV MAMBA_EXE=/bin/micromamba0 B

16COPY /bin/micromamba /bin/micromamba # buildkit6.33 MB

17COPY /etc/ssl/certs/ca-certificates.crt /etc/ssl/certs/ca-certificates.crt # buildkit123.75 KB

18COPY _dockerfile_initialize_user_accounts.sh /usr/local/bin/_dockerfile_initialize_user_accounts.sh # buildkit558 B

19COPY _dockerfile_setup_root_prefix.sh /usr/local/bin/_dockerfile_setup_root_prefix.sh # buildkit292 B

20RUN |4 CERT_SOURCE=/etc/ssl/certs/ca-certificates.crt MAMBA_USER=mambauser MAMBA_USER_ID=57439761.34 KB

21USER mambauser0 B

22WORKDIR /tmp32 B

23COPY _entrypoint.sh /usr/local/bin/_entrypoint.sh # buildkit691 B

24COPY _activate_current_env.sh /usr/local/bin/_activate_current_env.sh # buildkit654 B

25ENTRYPOINT ["/usr/local/bin/_entrypoint.sh"]0 B

26CMD ["/bin/bash"]0 B

27COPY _dockerfile_shell.sh /usr/local/bin/_dockerfile_shell.sh # buildkit352 B

28SHELL [/usr/local/bin/_dockerfile_shell.sh]0 B

29USER root0 B

30RUN /usr/local/bin/_dockerfile_shell.sh apk --no-cache add93.4 KB

31USER mambauser0 B

32ENV PYTHONUNBUFFERED=10 B

33RUN /usr/local/bin/_dockerfile_shell.sh CONDA_OVERRIDE_CUDA="12.4" micromamba install1.32 GB

34COPY --chown=mambauser:mambauser patch-gromacs-script.patch /tmp/patch-gromacs-script.patch #397 B

35RUN /usr/local/bin/_dockerfile_shell.sh patch /opt/conda/bin.AVX2_256/GMXRC.bash <1.49 KB

36WORKDIR /opt/sim119 B

Command

ADD file:5758b97d8301c84a204a6e516241275d785a7cade40b2fb99f01fe122482e283 in /