How to use the fireworks.Workflow.from_dict function in FireWorks

Tags VASP Fworker(s) of a Workflow; e.g. it can be used to run large-memory jobs on a separate queue

    Args:
        original_wf (Workflow):
        tag (string): user-defined tag to be added under fw.spec._fworker (e.g. "large memory", "big", etc)
        fw_name_constraint (string): name of the fireworks to be modified (all if None is passed)

    Returns:
        modified workflow with tagged Fworkers
    """
    wf_dict = original_wf.to_dict()
    for idx_fw, idx_t in get_fws_and_tasks(original_wf, fw_name_constraint=fw_name_constraint,
                                           task_name_constraint="RunVasp"):
        wf_dict["fws"][idx_fw]["spec"]["_fworker"] = tag

    return Workflow.from_dict(wf_dict)

def use_scratch_dir(original_wf, scratch_dir):
    """
    For all RunVaspCustodian tasks, add the desired scratch dir.

    :param original_wf:
    :param scratch_dir: The scratch dir to use. Supports env_chk
    """
    wf_dict = original_wf.to_dict()
    for idx_fw, idx_t in get_fws_and_tasks(original_wf, task_name_constraint="RunVaspCustodian"):
        wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t]["scratch_dir"] = scratch_dir
    return Workflow.from_dict(wf_dict)

Every FireWork begins by writing an empty file with the name
    "FW--". This makes it easy to figure out what jobs are in what
    launcher directories, e.g. "ls -l launch*/FW--*" from within a "block" dir.

    Args:
        original_wf (Workflow)
        use_slug (bool): whether to replace whitespace-type chars with a slug
    """
    wf_dict = original_wf.to_dict()
    for idx, fw in enumerate(wf_dict["fws"]):
        fname = "FW--{}".format(fw["name"])
        if use_slug:
            fname = get_slug(fname)
        wf_dict["fws"][idx]["spec"]["_tasks"].insert(0, FileWriteTask(
            files_to_write=[{"filename": fname, "contents": ""}]).to_dict())
    return Workflow.from_dict(wf_dict)

Args:
        original_wf (Workflow)
        ref_dirs (dict): key=firework name, value=path to the reference vasp calculation directory
        params_to_check (list): optional list of incar parameters to check.
    """
    if not params_to_check:
        params_to_check = ["ISPIN", "ENCUT", "ISMEAR", "SIGMA", "IBRION", "LORBIT", "NBANDS", "LMAXMIX"]
    wf_dict = original_wf.to_dict()
    for idx_fw, fw in enumerate(original_wf.fws):
        for job_type in ref_dirs.keys():
            if job_type in fw.name:
                for idx_t, t in enumerate(fw.tasks):
                    if "RunVasp" in str(t):
                        wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t] = \
                            RunVaspFake(ref_dir=ref_dirs[job_type], params_to_check=params_to_check).to_dict()
    return Workflow.from_dict(wf_dict)

def use_scratch_dir(original_wf, scratch_dir):
    """
    For all RunVaspCustodian tasks, add the desired scratch dir.

    :param original_wf:
    :param scratch_dir: The scratch dir to use. Supports env_chk
    """
    wf_dict = original_wf.to_dict()
    for idx_fw, idx_t in get_fws_and_tasks(original_wf, task_name_constraint="RunVaspCustodian"):
        wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t]["scratch_dir"] = scratch_dir
    return Workflow.from_dict(wf_dict)

# FW metadata
    for idx_fw in range(len(original_wf.fws)):
        if "tags" in wf_dict["fws"][idx_fw]["spec"]:
            wf_dict["fws"][idx_fw]["spec"]["tags"].extend(tags_list)
        else:
            wf_dict["fws"][idx_fw]["spec"]["tags"] = tags_list

    # DB insertion tasks
    for constraint in ["VaspToDbTask", "BoltztrapToDbTask"]:
        for idx_fw, idx_t in get_fws_and_tasks(original_wf, task_name_constraint=constraint):
            if "tags" in wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t]["additional_fields"]:
                wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t]["additional_fields"]["tags"].extend(tags_list)
            else:
                wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t]["additional_fields"]["tags"] = tags_list

    return Workflow.from_dict(wf_dict)

"""
    Replaces all tasks with "RunVasp*" (e.g. RunVaspCustodian) to be
    RunVaspDirect.

    Args:
        original_wf (Workflow): original workflow
        fw_name_constraint (str): Only apply changes to FWs where fw_name
            contains this substring.
    """
    wf_dict = original_wf.to_dict()
    vasp_fws_and_tasks = get_fws_and_tasks(original_wf, fw_name_constraint=fw_name_constraint,
                                           task_name_constraint="RunVasp")
    for idx_fw, idx_t in vasp_fws_and_tasks:
        vasp_cmd = wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t]["vasp_cmd"]
        wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t] = RunVaspDirect(vasp_cmd=vasp_cmd).to_dict()
    return Workflow.from_dict(wf_dict)

modify_incar_params = modify_incar_params or {"incar_update": {"LSORBIT": "T", "NBANDS": nbands, "MAGMOM": magmom,
                                                    "ISPIN": 1, "LMAXMIX": 4, "ISYM": 0}}

    for idx_fw, idx_t in get_fws_and_tasks(original_wf, fw_name_constraint=fw_name_constraint,
                                           task_name_constraint="RunVasp"):
        if "nscf" in wf_dict["fws"][idx_fw]["name"]:
            wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t]["vasp_cmd"] = ">>vasp_ncl<<"
            wf_dict["fws"][idx_fw]["spec"]["_tasks"].insert(idx_t, ModifyIncar(**modify_incar_params).to_dict())

        wf_dict["fws"][idx_fw]["name"] += " soc"

    for idx_fw, idx_t in get_fws_and_tasks(original_wf, fw_name_constraint=fw_name_constraint,
                                           task_name_constraint="RunBoltztrap"):
        wf_dict["fws"][idx_fw]["name"] += " soc"

    return Workflow.from_dict(wf_dict)

def add_additional_fields_to_taskdocs(original_wf, update_dict=None):
    """
    For all VaspToDbTasks in a given workflow, add information 
    to "additional_fields" to be placed in the task doc.
    
    Args:
        original_wf (Workflow)
        update_dict (Dict): dictionary to add additional_fields
    """
    wf_dict = original_wf.to_dict()
    for idx_fw, idx_t in get_fws_and_tasks(original_wf, task_name_constraint="VaspToDbTask"):
        wf_dict["fws"][idx_fw]["spec"]["_tasks"][idx_t]["additional_fields"].update(update_dict)
    return Workflow.from_dict(wf_dict)

Args:
        original_wf (Workflow)
        tracked_files (list) : list of files to be tracked
        nlines (int): number of lines at the end of files to be tracked
    """
    if tracked_files is None:
        tracked_files = ["OUTCAR", "OSZICAR"]
    trackers = [Tracker(f, nlines=nlines, allow_zipped=True) for f in tracked_files]
    wf_dict = original_wf.to_dict()
    for idx_fw, idx_t in get_fws_and_tasks(original_wf, task_name_constraint="RunVasp"):
        if "_trackers" in wf_dict["fws"][idx_fw]["spec"]:
            wf_dict["fws"][idx_fw]["spec"]["_trackers"].extend(trackers)
        else:
            wf_dict["fws"][idx_fw]["spec"]["_trackers"] = trackers
    return Workflow.from_dict(wf_dict)