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Error building deltaVinaXGB docker image #11

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mglgc opened this issue Aug 31, 2023 · 1 comment
Open

Error building deltaVinaXGB docker image #11

mglgc opened this issue Aug 31, 2023 · 1 comment

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@mglgc
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mglgc commented Aug 31, 2023

The command "docker build -t delta-vina-xgb ." fails showing following error lines:

Step 12/28 : RUN tar -xvzf mgltools_x86_64Linux2_1.5.6.tar.gz && cd mgltools_x86_64Linux2_1.5.6/ && /bin/bash -c "source install.sh"
---> Running in df00b30c96cb

gzip: stdin: not in gzip format
tar: Child returned status 1
tar: Error is not recoverable: exiting now

ERROR conda.cli.main_run:execute(47): conda run /bin/bash -c tar -xvzf mgltools_x86_64Linux2_1.5.6.tar.gz && cd mgltools_x86_64Linux2_1.5.6/ && /bin/bash -c "source install.sh" failed. (See above for error)
The command 'conda run -n DXGB /bin/bash -c tar -xvzf mgltools_x86_64Linux2_1.5.6.tar.gz && cd mgltools_x86_64Linux2_1.5.6/ && /bin/bash -c "source install.sh"' returned a non-zero code: 2

Thank you very much in advance for your reply.

@mglgc
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mglgc commented Sep 1, 2023

Indeed, downloading paths and filenames for mgltools and msms packages should be updated in the Dockerfile for building the deltaVinaXGB image.

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