Support QE v6.7.0

[kgasperich]

Proposed changes

adds a new patch for the latest version of QE. Closes #2230
This patches the official v6.7.0 release to be up-to-date with the release on Ye's fork.

What type(s) of changes does this code introduce?

• new converter patch for latest version of QE

Does this introduce a breaking change?

• No

What systems has this change been tested on?

• ALCF Cooley (built with mvapich 2.3.4, gcc 7.1.0)

Checklist

• Yes. This PR is up to date with current the current state of 'develop'
• No. Code added or changed in the PR has been clang-formatted (just a diff and a bash script)
• No. This PR adds tests to cover any new code, or to catch a bug that is being fixed
• No. Documentation has been added (if appropriate)

[qmc-robot]

Can one of the admins verify this patch?

[prckent]

Thanks Kevin! What was the issue causing the problems with some of the tests in your previous PR? (Something we should remember for future patches of new QE versions.)

[kgasperich]

The filenames were not consistent in cases where pw2qmcpack split the data among multiple hdf5 files (there were extra leading spaces before the part index, so data was being written to *.pwscf.h5_part 1 instead of *.pwscf.h5_part1), but the function that read these parts to combine them into a single file for qmcpack did not have the extra spaces in the filename.

[prckent]

Thanks. I was more fearful of a symmetry problem. Happily that was not the case.

I am currently building and testing this PR.

[prckent]

Confirmed working. Ran the qe workflow tests with both real and complex builds.

[prckent]

Test this please

[ye-luo]

Okay to test

[ye-luo]

Test this please