Example

import distribute_compute_config as distribute

matrix_user = "@matrix_id:matrix.org"
batch_name = "test_batch"
namespace = "test_namespace"
capabilities = ["apptainer"]

meta = distribute.metadata(namespace, batch_name, capabilities, matrix_user)

sif_path = "./path/to/some/container.sif"
# the contents of file.h5 will appear in the /input directory under the name `initial_condition.h5`
initial_condition = distribute.file("./path/to/some/file.h5", relative=True, alias="initial_condition.h5")
# a list of files that will /always/ be present in the /input directory of the container
required_files = [initial_condition]
# a list of paths inside the container that should be mounted to a folder on the host system.
required_mounts = ["/solver/extra_mount"]

initialize = distribute.initialize(sif_path, required_files, required_mounts)

#
# then put together two jobs that will be run using the container
#

# config files will always appear in `/input` under the name `config.json`.
# we use relative paths since otherwise the file must exist (and this is an example)
job_1_config_file = distribute.file("./path/to/config1.json", alias="config.json", relative=True)
job_2_config_file = distribute.file("./path/to/config2.json", alias="config.json", relative=True)

# all `required files` will appear in the /input directory for their respective job
job_1_required_files = [job_1_config_file]
job_2_required_files = [job_2_config_file]

job_1 = distribute.job("job_1", job_1_required_files)
job_2 = distribute.job("job_2", job_2_required_files)

jobs = [job_1, job_2]

#
# then put together a full description of the jobs that we will run
# and the container we will use to run then
#

description = distribute.description(initialize, jobs)

jobset = distribute.apptainer_config(meta, description)
distribute.write_config_to_file(jobset,"./distribute-jobs.yaml")

This generates:

---
meta:
  batch_name: test_batch
  namespace: test_namespace
  matrix: "@matrix_id:matrix.org"
  capabilities:
    - apptainer
apptainer:
  initialize:
    sif: "./path/to/some/container.sif"
    required_files:
      - path: "./path/to/some/file.h5"
        alias: initial_condition.h5
    required_mounts:
      - /solver/extra_mount
  jobs:
    - name: job_1
      required_files:
        - path: "./path/to/config1.json"
          alias: config.json
    - name: job_2
      required_files:
        - path: "./path/to/config2.json"
          alias: config.json