setup-singularity-work-dir.py

# Adapted from LLNL Orchestrator "KIMRun" module
# Set up a direcory structure so that the KDP utilities
# such as "kimitems" and "pipeline-run-pair" can be
# used with singularity

import os


CODE_TO_DIR = {
    "MO": "models",
    "MD": "model-drivers",
    "TE": "tests",
    "TD": "test-drivers",
    "SM": "simulator-models",
    "VC": "verification-checks",
}


def env_file_path(work_path):
    return os.path.join(work_path, "kimrun-env")


work_path = os.path.abspath(input("Directory you would like to work in?\n"))
os.mkdir(work_path)
kdp_env_file_path = os.path.join(work_path, "kimrun-kdp-env")
kim_api_config_path = os.path.join(work_path, ".kim-api/config")

with open(env_file_path(work_path), "w") as f:
    f.write(
        f"PIPELINE_ENVIRONMENT_FILE={kdp_env_file_path}\n"
        + f"KIM_API_CONFIGURATION_FILE={kim_api_config_path}"
    )

with open(kdp_env_file_path, "w") as f:
    print("#!/bin/bash", file=f)
    print("#==============================================", file=f)
    print("# this file has a specific format since it is", file=f)
    print("# also read by python.  only FOO=bar and", file=f)
    print("# the use of $BAZ can be substituted. comments", file=f)
    print("# start in column 0", file=f)
    print("#==============================================", file=f)
    print(file=f)
    print("PIPELINE_LOCAL_DEV=False", file=f)
    print(f"LOCAL_REPOSITORY_PATH={work_path}", file=f)
    print(f"LOCAL_DATABASE_PATH={work_path}/db", file=f)
    print(
        "KIM_PROPERTY_PATH=$LOCAL_REPOSITORY_PATH/test-drivers/*/local-props/**/:"
        "$LOCAL_REPOSITORY_PATH/test-drivers/*/local_props/**/",
        file=f,
    )


kdp_directories = list(CODE_TO_DIR.values()) + [
    "errors",
    ".kim-api",
    "test-results",
    "verification-results",
]

# create KDP subdirectories
for dirname in kdp_directories:
    dirpath = os.path.join(work_path, dirname)
    os.mkdir(dirpath)

with open(kim_api_config_path, "w") as f:
    f.write(
        f"model-drivers-dir = {work_path}/md\n"
        + f"portable-models-dir = {work_path}/pm\n"
        + f"simulator-models-dir = {work_path}/sm\n"
    )

with open(kim_api_config_path) as f:
    for line in f:
        if len(line) > 255:
            raise RuntimeError(
                "Path to the work directory is too long.\n"
                "KIM API config file max line length = 255,\n"
                "your path must be less than approx. 225 chars."
            )

print("Work directory created. Run Singularity with (at least) the following options:")
print(f"--env-file {env_file_path(work_path)} -B {work_path} --writable-tmpfs")