fairmd.lipids.bin.add_simulation module

Add new simulation into the FAIRMD Lipids.

The script adds a simulation into the Databank based on info.yaml file.

Usage:

fmdl_add_simulation [-h] [-f FILE] [-d] [-n] [-w WORK_DIR] [–dry-run]

-h, --help

Show this help message and exit

-f FILE, --file=FILE

Input config file in yaml format.

-d, --debug

Enable debug logging output

-n, --no-cache

Always redownload repository files

-w WORK_DIR, --work-dir=WORK_DIR

Set custom temporary working directory [not set = read from YAML]

--dru-run

Download only 50MB of big files. Very usefull when user is testing the addition.

--non-interactive

Answer N to all interactive questions. Exit if meet any uncertainty

Returns error codes:

  • 0 - success

  • 1 - input errors (YAML parsing, mapping files, etc.)

  • 2 - filesystem writting errors

  • 3 - network accessing errors

fairmd.lipids.bin.add_simulation.add_simulation()[source]