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After doing some deep diving, I have mapped out the general schema for the container which is created by the Dockerfile within this repo using a JSON-like object. The schema is:
{
"base_image": "python:3.9-slim-buster",
"version": "0.1.35",
"software": "COPASI",
"software.version": "4.36.260",
"about": {
"summary": "Open-source software package for the simulation and analysis of biochemical networks and their dynamics.",
"home": "http://copasi.org/",
"documentation": "http://copasi.org/Support/User_Manual/",
"license_file": "https://github.com/copasi/COPASI/blob/develop/license.txt",
"license": "SPDX:Artistic-2.0",
"tags": "kinetic modeling,dynamical simulation,systems biology,biochemical networks,SBML,SED-ML,COMBINE,OMEX,BioSimulators"
},
"org.opencontainers.image.title": "COPASI",
"org.opencontainers.image.version": "4.36.260",
"org.opencontainers.image.description": "Open-source software package for the simulation and analysis of biochemical networks and their dynamics.",
"org.opencontainers.image.url": "http://copasi.org/",
"org.opencontainers.image.documentation": "http://copasi.org/Support/User_Manual/",
"org.opencontainers.image.source": "https://github.com/biosimulators/Biosimulators_COPASI",
"org.opencontainers.image.authors": "BioSimulators Team [email protected]",
"org.opencontainers.image.vendor": "BioSimulators Team",
"org.opencontainers.image.licenses": "Artistic-2.0",
"maintainer": "BioSimulators Team [email protected]",
"dependencies": [
"libfreetype6"
],
"entrypoint": [
"biosimulators-copasi"
],
"cmd": [],
"environment": {
"ALGORITHM_SUBSTITUTION_POLICY": "SIMILAR_VARIABLES",
"VERBOSE": "0",
"MPLBACKEND": "PDF"
}
}
May this serve as a mapping for Dockerfile traversal.
Without error, I am able to call:
docker pull {copasi image str}
However, when calling:
docker run {copasi image str} -i {path to omex} -o {path to output}
I am greeted with the following error:
{path to omex} is not a file
I have taken care to point to a .omex file and NOT the directory of omex contents.
PROPOSAL:
Refactoring docker abilities to recursively index a desired omex path. PR to come.
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