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Hello,
The master branch seems to have some parentheses errors that the Comscope2021SummerSchool branch does not. Perhaps the Intel compiler does not catch these; I am instead compiling with gcc-9.2.0, and compilation is failing with the following errors:

whereas the Comscope2021SummerSchool branch compiles successfully with the same parameters. Side note, the ComCTQMC/evalsim and /host makefiles have -lmpi_cxx in this branch also yield errors [I am using mpicc here] but removing them works.

Hi,
According to their home page, pymatgen has introduced some compatibility changes in 2022. One of which is changing where some of their root info is put.

In flapwmbpt_ini.py, line 22,
versionstr = '%(prog)s version 0.0\npymatgen version '+mg.__version__
this will not work with recent pymatgen changes, instead crashing with
AttributeError: module 'pymatgen' has no attribute '__version__'

Instead, one must use
import pymatgen.core as pcore
versionstr = '%(prog)s version 0.0\npymatgen version '+pcore.__version__

EDIT: It appears there are more breaking changes with the new pymatgen structure. Or perhaps I am missing something :)

I don't know how you may want to change the code to account for both versions, since well, querying the version itself has changed.

Hi,

I'm coming back to try ComDMFT & compiling from source from the master branch.
-- The Makefiles are a bit out of whack however. I needed to change the Makefiles in ComCTQMC because labels like cxx_lmpi were hardcoded, rather than inheriting from the master makefile.
-- I'm not sure if it's syntax changes or what, but at least the flapwmbpy_ini.py script isn't working. For example running the flapwmbpt_ini.py on Na.cif still yields the same error in the other issue I opened years ago. The sp.kpath yields None.

Will open more issues as I try using the code, these are just the ones I found as I've spent an hour getting it installed.