update readme. Remove unused calculator utils funciton

README.md

@@ -10,12 +10,19 @@ For examples and more information see [documentation](https://libatoms.github.io
 
 `wfl` and its dependencies may be installed via `pip install wfl`. 
 
-NOTE: (as of 14 June 2024) `wfl` is only tested against the latest ASE pip release, currently v3.23.0. 
-For the time being, v3.22.1 is the minimum version listed as a (pip) prerequisite of `wfl`, because
-it at least mostly works, but it may not be fully compatible and is not actively tested.
 
 # Recent changes
 
+v0.3.0:
+
+- Update the file-based calculators (Orca, FHI-Aims, Vasp, Quantum Espresso, Castep) to work 
+  with with ASE v3.23. This update breaks backwards-compatibility. For compatibility with with 
+  the ASE v3.22 see use wfl v0.2.7 or earlier. 
+
+v0.2.7:
+
+- Latest version compatible with ASE v3.22.x. To install, use `pip install wfl==0.2.7`. 
+
 v0.2.3:
 
 - Add wfl.generate.neb, with required improved support for passing ConfigSet.groups() to 

wfl/calculators/utils.py

@@ -22,31 +22,4 @@ def clean_rundir(rundir, keep_files, default_keep_files, calculation_succeeded):
     else:
         clean_dir(rundir, keep_files, force=False)
 
-def parse_genericfileio_profile_argv(argv):
-    """Parse a command provided as a conventional argv into the separate
-    structures that generic file-io calculators use to construct their Profile
 
-    Parameters
-    ----------
-    argv: list(str)
-        command to execute, split into separate arguments (e.g. using shlex.split?)
-
-    Returns
-    -------
-    binary: str binary to execute
-    parallel_info: dict with parallel info, in particular "binary" for mpirun/mpiexec/srun etc,
-                   and additional fields to reconstruct rest of command line (all fake, depending
-                   on details of how ASE constructs the final command line
-    """
-    binary = argv[-1]
-    parallel_info = None
-    if len(argv) > 1:
-        # assume earlier arguments are parallel execution dependent, in particular
-        # mpirun/mpiexec/srun [other mpi argument] pw_executable
-        parallel_info = {"binary": argv[0]}
-        for arg in argv[1:-1]:
-            # add additional arguments, faked into a dict that ASE will convert into
-            # a proper command line
-            parallel_info[arg] = True
-
-    return binary, parallel_info