Support QE 6.8

[qiaojunfeng]

QE 6.8 has been released, it seems it introduces a new XML schema, here's a diff output of the XML file:

< <qes:espresso xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 http://www.quantum-espresso.org/ns/qes/qes_030920.xsd" Units="Hartr
ee atomic units" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:qes="http://www.quantum-espresso.org/ns/qes/qes-1.0">
---
> <qes:espresso xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 http://www.quantum-espresso.org/ns/qes/qes_210716.xsd" Units="Hartr
ee atomic units" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:qes="http://www.quantum-espresso.org/ns/qes/qes-1.0">
5,7c5,7
<     <xml_format NAME="QEXSD" VERSION="20.04.20">QEXSD_20.04.20</xml_format>
<     <creator NAME="PWSCF" VERSION="6.7MaX">XML file generated by PWSCF</creator>
<     <created DATE=" 4Aug2021" TIME="21:58:47">This run was terminated on:  21:58:47   4 Aug 2021</created>
---
>     <xml_format NAME="QEXSD" VERSION="21.07.16">QEXSD_21.07.16</xml_format>
>     <creator NAME="PWSCF" VERSION="6.8">XML file generated by PWSCF</creator>
>     <created DATE=" 5Aug2021" TIME="17: 6:25">This run was terminated on:  17: 6:25   5 Aug 2021</created>

So the parser fails to recognize it

Property     Value
-----------  -------------------------------------------------------------
type         PwCalculation
state        Finished [322] The XML output file has an unsupported format.
pk           8243
uuid         591d3809-a35b-48f7-b294-8e2f80d7f802
label
description
ctime        2021-08-05 15:02:17.001271+00:00
mtime        2021-08-05 15:06:29.471525+00:00
computer     [1] localhost

[sphuber]

This should be as easy as adding the XML schema file to the parsers/parse_xml/schemas. Getting the schema is not necessarily as trivial. It should be compilable from the docs that are in the distribution but I never had any luck. I always ended up contacting Pietro Delugas for the file.

[qiaojunfeng]

hmm, seems the link for the schema http://www.quantum-espresso.org/ns/qes/qes_210716.xsd is even broken at the moment.

[sphuber]

I don't think they ever worked. That is why I had to get it through the other means I described.