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Discngine / fpocket

fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).
MIT License
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Docker image fail to run #68

Closed hhaootian closed 2 years ago

hhaootian commented 3 years ago

I'm trying to use Fpocket with docker: docker run -vpwd:/WORKDIR fpocket/fpocket fpocket -f data/sample/1UYD.pdb

However, it reports that docker: Error response from daemon: OCI runtime create failed: container_linux.go:380: starting container process caused: exec: "fpocket": executable file not found in $PATH: unknown.

A little bit of debugging, in the container, make command cannot execute successfully with errors like parm7plugin.C:(.text+0xa9): undefined reference to 'operator delete(void*, unsigned long)'.

hhaootian commented 3 years ago

the C++ problem might come from not pass -lstdc++ during linking? see ref here. I don't know c++, not sure

pschmidtke commented 2 years ago

can you check with the docker image pushed here: https://hub.docker.com/layers/fpocket/fpocket/4.0.0-bullseye-slim/images/sha256-ba07d6f93f4366d8a97645810b7fd2a4dc885a119c34561ff011f2cfbe3c9853?context=explore ?

hhaootian commented 2 years ago

Yes this works now. This docker image should be tagged as the latest one. I'm going to close this and PR #70.