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https://github.com/clarkedavida/createqcdml

A tool to help create XML files conforming to QCDml for the purpose of storing ILDG configurations.
https://github.com/clarkedavida/createqcdml

lattice-qcd metadata

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A tool to help create XML files conforming to QCDml for the purpose of storing ILDG configurations.

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README 

        
# QCDml Utils



To upload to ILDG, it is expected that you provide some metadata about

your configurations. There is a strict [QCDml schema](https://doi.org/10.1016/j.nuclphysbps.2004.11.116)

that should be followed, including a lot of information the user might not know, such as

the location of a "glossary". The purpose of these tools is to allow you

to write your own Python scripts streamlining this process.



The general idea is that for an ensemble, you should create a corresponding

`ensemble profile`, and similarly configurations get `configuration profiles`.

These profiles implement metadata as Python variables. You can then either

put the metadata in by hand, use one of the `QCDmlUtils` scripts, or you

can use your own script, written in whatever language you prefer, which

you then call using the `QCDmlUtil` command `shell()`. Some example profiles

can be found in the `profiles` folder. Some example usage of `QCDmlUtil`

functions can be found in `exampleQCDmlUtilScript.py`.



Most of the core tools already exist in this code. At the moment, only the HISQ

and tree-level Symanzik actions have example profiles. If ILDG wants to

use it, what is required is to extend the profiles in the `profiles` folder to

include other lattice actions. Correspondingly one might want to add

metadata-checking functions for those actions.



## Getting set up



This is a collection of Python scripts to help make QCDml metadata files.

All you need is Python 3.5+. To get started, please run

```shell

./installQCDmlUtils.bash

```

To see whether everything worked, you can then try

```shell

./testQCDml.bash

```



## What can I do with these tools?



Start by filling out a profile. Some examples can be found in the `profiles` subfolder.

An excerpt from one is:

```Python

QCDmlConfigFileName = "example_config.xml"

reference           = "myreference"

revisionNumber      = [0,1]

revisionAction      = ["generate","add"]

reviser             = ["Dr. Strangelove","Merkin Muffley"]

reviserInstitute    = ["Bielefeld University","Brookhaven National Laboratory"]

revisionDate        = ["2022-08-21T00:00:00+00:00",shell("hubert-mtime.pl")]

revisionComment     = "myrevision"

revisions           = len(revisionNumber)

```

The profiles have a lot of nice features, namely:

1. You have an idea of what information is required from the variable names on the LHS.

2. You can leverage Python data structures and commands, like lists and `len`, and can

do on-the-fly math, such as setting `c7Link=1/384`, where the RHS will be converted to

float by Python.

3. You can use already existing code, or write code in a language of your choice if you don't 

care for Python, by wrapping in the `shell` command. In the above example, we use a Perl script

by H. Simma to compute the time.



Once you have filled out your profiles, you can write a Python script to create, and if you like check,

the XML files. For instance:

```Python

# Some basic checks that the supplied data are reasonable.

checkConfigProfile( confInfo )

checkEnsembleProfile( ensmInfo )



# Also possible to call like: makeConfURI( collaboration, projectName, ensembleName )

URI = makeConfURI( ensmInfo )

LFN = makeDataLFN( URI, confInfo.configurationName )



# Make the ensemble and configuration XML files.

writeQCDmlEnsembleFile( ensmInfo, gActInfo, qActInfo )

writeQCDmlConfigFile( confInfo, dataLFN=LFN, markovChainURI=URI )

```

That's it, you're done! The full example is in `exampleQCDmlUtilScript.py`.