Add Dockerfile for TCRdock v1.0.0

[eliasball]

Submitting a Container

Checklist

1. Misc

• My tool doesn't exist in BioConda
• The image can be built
• To build the image, --ulimit nofile=262144:262144 needs to provided to docker build. How should this be done in Biocontainers?

2. Metadata

• LABEL base_image
• LABEL version
• LABEL software.version
• LABEL about.summary
• LABEL about.home
• LABEL about.license
• MAINTAINER

3. Extra (optionals)

• I have written tests in test-cmds.txt
• LABEL extra.identifier
• LABEL about.documentation
• LABEL about.license_file
• LABEL about.tags

[eliasball]

Hey!
One more thing before the PR could potentially be accepted: As mentioned above, to build the image, --ulimit nofile=262144:262144 needs to provided to docker build. How should this be done in Biocontainers?

[eliasball]

Also, the software provided is not my software, but I forked the repo and added some important files to make the docker container build. Is it alright to provide only the links to my fork in the LABELS?

[biocontainers-bot]

about.license field is not in spdx list: https://spdx.org/licenses/, if it is a typo error, please fix it. If this is not a standard license, please specify Custom License and use about.license_file label to specify license location (in container or url).

[biocontainers-bot]

No biotools label defined, please check if tool is not already defined in biotools (https://bio.tools) and add extra.identifiers.biotools label if it exists. If it is not defined, you can ignore this comment.

[biocontainers-bot]

No test-cmds.txt (test file) present, skipping tests

[mboudet]

Hmm, it seems to build fine on our end without the --ulimit. (Which is great, because there are not easy way to include those in the build process).

Not sure regarding the fork. Is the maintainer not interested in merging your modifications in the main repo?

[eliasball]

I see, this is good news! The --ulimit was related to a bug when installing cudatoolkit (mamba-org/mamba#2501 (comment)) and the fix simply requires it to be not set too high. Great that it works without on our build system!

Regarding the fork: I haven't contacted the maintainer about this topic, as it was simpler to just devise the necessary env.yml file myself and have control over release versioning. If this is wished for I could do this however.

[mboudet]

Well, I feel like it would be cleaner to link to the main repo. If the maintainer does not wish to incorporate the modifications, we can proceed as it is.

[eliasball]

Alright, I will open a PR for the main repo and contact the maintainer, I will reach out once everything works, thanks a lot! :)