esgf-qa 0.4.0__tar.gz → 0.5.0__tar.gz

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/HISTORY.rst

@@ -1,3 +1,14 @@
+0.5.0 (2026-02-06)
+------------------
+
+New Features
+^^^^^^^^^^^^
+
+* Allowing to limit the number of parallel processes with the ``-P <max_processes>`` command line parameter.
+* Generally, any ``cc-plugin`` is now supported.
+* Creation of dataset-ids now supports a variety of projects. The list can be updated if needed.
+* Information on found files and organization into datasets now stored to disk rather than being output to stdout.
+
 0.4.0 (2025-11-05)
 ------------------
 

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/MANIFEST.in

@@ -17,5 +17,5 @@ prune docs
 
 # Exclude project config files
 exclude mkdocs.yml
-exclude .pre-commit.yml
+exclude .pre-commit-config.yaml
 exclude .gitignore

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: esgf-qa
-Version: 0.4.0
+Version: 0.5.0
 Summary: QA based on compliance-checker
 Author-email: Martin Schupfner <schupfner@dkrz.de>
 Maintainer-email: Martin Schupfner <schupfner@dkrz.de>
@@ -21,6 +21,7 @@ Requires-Dist: cf_xarray
 Requires-Dist: compliance-checker>=5.3.0
 Requires-Dist: dask
 Requires-Dist: netCDF4
+Requires-Dist: packaging
 Requires-Dist: pandas
 Requires-Dist: textual
 Requires-Dist: xarray
@@ -53,7 +54,7 @@ Dynamic: license-file
 `esgf-qa` provides a flexible quality assurance (QA) workflow for evaluating dataset compliance using the
 [ioos/compliance-checker](https://github.com/ioos/compliance-checker) framework
 (including [CF](https://cfconventions.org/) compliance checks)
-and various community plugins (`cc-plugin`s), such as
+and any community plugins (`cc-plugin`s), such as
 [ESGF/cc-plugin-wcrp](https://github.com/ESGF/cc-plugin-wcrp) and
 [euro-cordex/cc-plugin-cc6](https://github.com/euro-cordex/cc-plugin-cc6).
 
@@ -65,8 +66,8 @@ Results from both file- and dataset-level checks are aggregated, summarized, and
 ### Currently supported checkers
 
 While `esgf-qa` has been primarily developed for workflows assessing compliance with WCRP project data specifications
-(e.g., CMIP, CORDEX), it can also be used for general CF-compliance testing and easily extended to support any
-`cc-plugin` and projects following CORDEX- or CMIP-style CMOR table conventions.
+(e.g., CMIP, CORDEX), it can also be used for general CF-compliance testing and generally supports any
+`cc-plugin`. It can be easily extended to support any projects following CORDEX- or CMIP-style CMOR table conventions.
 
 | Standard                                                                                             | Checker Name |
 | ---------------------------------------------------------------------------------------------------- | ------------ |
@@ -125,15 +126,16 @@ esgvoc status
 ## Usage
 
 ```shell
-$ esgqa [-h] [-o <OUTPUT_DIR>] [-t <TEST>] [-O OPTION] [-i <INFO>] [-r] [-C] <parent_dir>
+$ esgqa [-h] [-P <parallel_processes>] [-o <OUTPUT_DIR>] [-t <TEST>] [-O OPTION] [-i <INFO>] [-r] [-C] <parent_dir>
 ```
 
 - positional arguments:
   - `parent_dir`: Parent directory to scan for netCDF-files to check
 - options:
   - `-h, --help`: show this help message and exit
+  - `-P, --parallel_processes`: Specify the maximum number of parallel processes. Default: 0 (= number of cores).
   - `-o, --output_dir OUTPUT_DIR`: Directory to store QA results. Needs to be non-existing or empty or from previous QA run. If not specified, will store results in `./cc-qa-check-results/YYYYMMDD-HHmm_<hash>`.
-  - `-t, --test TEST`: The test to run (`'wcrp_cmip6:latest'`, `'wcrp_cordex_cmip6:latest'` or `'cf:<version>'`, can be specified multiple times, eg.: `'-t wcrp_cmip6:latest -t cf:1.7'`) - default: running latest CF checks `'cf:latest'`.
+  - `-t, --test TEST`: The test to run (eg. `'wcrp_cmip6:latest'`, `'wcrp_cordex_cmip6:latest'` or `'cf:<version>'`, can be specified multiple times, eg.: `'-t wcrp_cmip6:latest -t cf:1.7'`) - default: running latest CF checks `'cf:latest'`. If the version is omitted, `latest` will be used.
   - `-O, --option OPTION`: Additional options to be passed to the checkers. Format: `'<checker>:<option_name>[:<option_value>]'`. Multiple invocations possible.
   - `-i, --info INFO`:  Information used to tag the QA results, eg. the simulation id to identify the checked run. Suggested is the original experiment-id you gave the run.
   - `-r, --resume`: Specify to continue a previous QC run. Requires the `<output_dir>` argument to be set.
@@ -142,7 +144,7 @@ $ esgqa [-h] [-o <OUTPUT_DIR>] [-t <TEST>] [-O OPTION] [-i <INFO>] [-r] [-C] <pa
 ### Example Usage
 
 ```shell
-$ esgqa -t wcrp_cordex_cmip6:latest -t cf:1.11 -o QA_results/IAEVALL02_2025-10-20 -i "IAEVALL02" ESGF_Buff/IAEVALL02/CORDEX-CMIP6
+$ esgqa -P 8 -t wcrp_cordex_cmip6:latest -t cf:1.11 -o QA_results/IAEVALL02_2025-10-20 -i "IAEVALL02" ESGF_Buff/IAEVALL02/CORDEX-CMIP6
 ```
 
 To resume at a later date, eg. if the QA run did not finish in time or more files have been added to the `<parent_dir>`
@@ -156,7 +158,7 @@ $ esgqa -o QA_results/IAEVALL02_2025-10-20 -r
 For a custom MIP with defined CMOR tables (`"mip"` is not a placeholder but an actual basic checker of the `cc_plugin_cc6`):
 
 ```shell
-$ esgqa -o /path/to/test/results -t "mip:latest" -O "mip:tables:/path/to/mip_cmor_tables/Tables" /path/to/MIP/datasets/`
+$ esgqa -o /path/to/test/results -t "mip:latest" -O "mip:tables:/path/to/mip_cmor_tables/Tables" /path/to/MIP/datasets/
 ```
 
 For CF checks and basic time and consistency / continuity checks:

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/README.md

@@ -7,7 +7,7 @@
 `esgf-qa` provides a flexible quality assurance (QA) workflow for evaluating dataset compliance using the
 [ioos/compliance-checker](https://github.com/ioos/compliance-checker) framework
 (including [CF](https://cfconventions.org/) compliance checks)
-and various community plugins (`cc-plugin`s), such as
+and any community plugins (`cc-plugin`s), such as
 [ESGF/cc-plugin-wcrp](https://github.com/ESGF/cc-plugin-wcrp) and
 [euro-cordex/cc-plugin-cc6](https://github.com/euro-cordex/cc-plugin-cc6).
 
@@ -19,8 +19,8 @@ Results from both file- and dataset-level checks are aggregated, summarized, and
 ### Currently supported checkers
 
 While `esgf-qa` has been primarily developed for workflows assessing compliance with WCRP project data specifications
-(e.g., CMIP, CORDEX), it can also be used for general CF-compliance testing and easily extended to support any
-`cc-plugin` and projects following CORDEX- or CMIP-style CMOR table conventions.
+(e.g., CMIP, CORDEX), it can also be used for general CF-compliance testing and generally supports any
+`cc-plugin`. It can be easily extended to support any projects following CORDEX- or CMIP-style CMOR table conventions.
 
 | Standard                                                                                             | Checker Name |
 | ---------------------------------------------------------------------------------------------------- | ------------ |
@@ -79,15 +79,16 @@ esgvoc status
 ## Usage
 
 ```shell
-$ esgqa [-h] [-o <OUTPUT_DIR>] [-t <TEST>] [-O OPTION] [-i <INFO>] [-r] [-C] <parent_dir>
+$ esgqa [-h] [-P <parallel_processes>] [-o <OUTPUT_DIR>] [-t <TEST>] [-O OPTION] [-i <INFO>] [-r] [-C] <parent_dir>
 ```
 
 - positional arguments:
   - `parent_dir`: Parent directory to scan for netCDF-files to check
 - options:
   - `-h, --help`: show this help message and exit
+  - `-P, --parallel_processes`: Specify the maximum number of parallel processes. Default: 0 (= number of cores).
   - `-o, --output_dir OUTPUT_DIR`: Directory to store QA results. Needs to be non-existing or empty or from previous QA run. If not specified, will store results in `./cc-qa-check-results/YYYYMMDD-HHmm_<hash>`.
-  - `-t, --test TEST`: The test to run (`'wcrp_cmip6:latest'`, `'wcrp_cordex_cmip6:latest'` or `'cf:<version>'`, can be specified multiple times, eg.: `'-t wcrp_cmip6:latest -t cf:1.7'`) - default: running latest CF checks `'cf:latest'`.
+  - `-t, --test TEST`: The test to run (eg. `'wcrp_cmip6:latest'`, `'wcrp_cordex_cmip6:latest'` or `'cf:<version>'`, can be specified multiple times, eg.: `'-t wcrp_cmip6:latest -t cf:1.7'`) - default: running latest CF checks `'cf:latest'`. If the version is omitted, `latest` will be used.
   - `-O, --option OPTION`: Additional options to be passed to the checkers. Format: `'<checker>:<option_name>[:<option_value>]'`. Multiple invocations possible.
   - `-i, --info INFO`:  Information used to tag the QA results, eg. the simulation id to identify the checked run. Suggested is the original experiment-id you gave the run.
   - `-r, --resume`: Specify to continue a previous QC run. Requires the `<output_dir>` argument to be set.
@@ -96,7 +97,7 @@ $ esgqa [-h] [-o <OUTPUT_DIR>] [-t <TEST>] [-O OPTION] [-i <INFO>] [-r] [-C] <pa
 ### Example Usage
 
 ```shell
-$ esgqa -t wcrp_cordex_cmip6:latest -t cf:1.11 -o QA_results/IAEVALL02_2025-10-20 -i "IAEVALL02" ESGF_Buff/IAEVALL02/CORDEX-CMIP6
+$ esgqa -P 8 -t wcrp_cordex_cmip6:latest -t cf:1.11 -o QA_results/IAEVALL02_2025-10-20 -i "IAEVALL02" ESGF_Buff/IAEVALL02/CORDEX-CMIP6
 ```
 
 To resume at a later date, eg. if the QA run did not finish in time or more files have been added to the `<parent_dir>`
@@ -110,7 +111,7 @@ $ esgqa -o QA_results/IAEVALL02_2025-10-20 -r
 For a custom MIP with defined CMOR tables (`"mip"` is not a placeholder but an actual basic checker of the `cc_plugin_cc6`):
 
 ```shell
-$ esgqa -o /path/to/test/results -t "mip:latest" -O "mip:tables:/path/to/mip_cmor_tables/Tables" /path/to/MIP/datasets/`
+$ esgqa -o /path/to/test/results -t "mip:latest" -O "mip:tables:/path/to/mip_cmor_tables/Tables" /path/to/MIP/datasets/
 ```
 
 For CF checks and basic time and consistency / continuity checks:

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/esgf_qa/_constants.py

@@ -1,15 +1,14 @@
 from datetime import timedelta
 
-# Collection of supported checkers
+# Mapping of checker names to project names for better readability
 checker_dict = {
     "cc6": "CORDEX-CMIP6",
     "cf": "CF-Conventions",
     "mip": "MIP",
-    "plugin_cmip6": "CMIP6",
     # "wcrp-cmip5": "CMIP5",
     "wcrp_cmip6": "CMIP6",
-    # "wcrp_cmip7": "CMIP7-AFT",
-    # "wcrp_cmip7": "CMIP7",
+    # "wcrp_cmip7aft: "CMIP7-AFT",
+    "wcrp_cmip7": "CMIP7",
     # "wcrp_cordex": "CORDEX",
     "wcrp_cordex_cmip6": "CORDEX-CMIP6",
     # "obs4mips": "Obs4MIPs",
@@ -24,17 +23,39 @@ checker_dict_ext = {
 }
 checker_release_versions = {}
 
-# DRS parent directory names
-DRS_path_parent = {
-    "CMIP5": "CMIP5",
-    "CMIP6": "CMIP6",
-    "CMIP7": "CMIP7",
-    "CMIP7-AFT": "CMIP7",
-    "CORDEX": "CORDEX",
-    "CORDEX-CMIP6": "CORDEX-CMIP6",
-    "Obs4MIPs": "Obs4MIPs",
-    "Input4MIPs": "Input4MIPs",
-}
+# Checkers for which consistency checks should be run
+checker_supporting_consistency_checks = [
+    "wcrp_cmip7",
+    "wcrp_cmip6",
+    "wcrp_cordex_cmip6",
+    "cc6",
+    "mip",
+]
+
+# DRS parent directory names (for identifying project root and building dataset id)
+supported_project_ids = [
+    "cmip7",
+    "cmip6plus",
+    "cmip6",
+    "cmip5",
+    "cordex",
+    "cordex-cmip6",
+    "cordex-fpsconv",
+    "obs4mips",
+    "input4mips",
+    "c3scordex",
+    "c3scmip5",
+    "c3scmip6",
+    "c3s-ipcc-ar6-atlas",
+    "c3satlas",
+    "c3s-cica-atlas",
+    "c3satlas_v1",
+    "c3s-atlas-dataset",
+    "c3satlas_v2",
+    "eerie",
+    "happi",
+    "cosmo-rea",
+]
 
 # Definition of maximum permitted deviations from the given frequency
 deltdic = {}

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/esgf_qa/_version.py

@@ -28,7 +28,7 @@ version_tuple: VERSION_TUPLE
 commit_id: COMMIT_ID
 __commit_id__: COMMIT_ID
 
-__version__ = version = '0.4.0'
-__version_tuple__ = version_tuple = (0, 4, 0)
+__version__ = version = '0.5.0'
+__version_tuple__ = version_tuple = (0, 5, 0)
 
-__commit_id__ = commit_id = 'gdd534515f'
+__commit_id__ = commit_id = 'g2b7e7f7fe'

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/esgf_qa/cluster_results.py

@@ -101,7 +101,7 @@ class QAResultAggregator:
                         "errors"
                     ].items():
                         self.summary["error"][
-                            f"[{checker_dict[checker]}] " + function_name
+                            f"[{checker_dict.get(checker, checker)}] " + function_name
                         ][error_msg][dsid].append(file_name)
                 else:
                     score, max_score = result_dict[checker][test]["value"]
@@ -110,7 +110,7 @@ class QAResultAggregator:
                     if score < max_score:  # test outcome: fail
                         for msg in msgs:
                             self.summary["fail"][weight][
-                                f"[{checker_dict[checker]}] " + test
+                                f"[{checker_dict.get(checker, checker)}] " + test
                             ][msg][dsid].append(file_name)
 
     def update_ds(self, result_dict, dsid):
@@ -132,7 +132,8 @@ class QAResultAggregator:
                     ].items():
                         for file_name in errdict["files"]:
                             self.summary["error"][
-                                f"[{checker_dict_ext[checker]}] " + function_name
+                                f"[{checker_dict_ext.get(checker, checker)}] "
+                                + function_name
                             ][errdict["msg"]][dsid].append(file_name)
                 else:
                     weight = result_dict[checker][test].get("weight", 3)
@@ -140,7 +141,7 @@ class QAResultAggregator:
                     for msg, file_names in fails.items():
                         for file_name in file_names:
                             self.summary["fail"][weight][
-                                f"[{checker_dict_ext[checker]}] " + test
+                                f"[{checker_dict_ext.get(checker, checker)}] " + test
                             ][msg][dsid].append(file_name)
 
     def sort(self):

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/esgf_qa/run_qa.py

@@ -12,12 +12,14 @@ from pathlib import Path
 
 from compliance_checker import __version__ as cc_version
 from compliance_checker.runner import CheckSuite
+from packaging import version as pversion
 
 from esgf_qa._constants import (
-    DRS_path_parent,
     checker_dict,
     checker_dict_ext,
     checker_release_versions,
+    checker_supporting_consistency_checks,
+    supported_project_ids,
 )
 from esgf_qa._version import version
 from esgf_qa.cluster_results import QAResultAggregator
@@ -53,7 +55,7 @@ def get_default_result_dir():
     )
 
 
-def get_dsid(files_to_check_dict, dataset_files_map_ext, file_path, project_id):
+def get_dsid(files_to_check_dict, dataset_files_map_ext, file_path, project_ids):
     """
     Get the dataset id for a file.
 
@@ -65,8 +67,8 @@ def get_dsid(files_to_check_dict, dataset_files_map_ext, file_path, project_id):
         Dictionary of dataset files.
     file_path : str
         Path to the file.
-    project_id : str
-        Project id.
+    project_ids: list of str
+        List of supported project_ids
 
     Returns
     -------
@@ -75,16 +77,46 @@ def get_dsid(files_to_check_dict, dataset_files_map_ext, file_path, project_id):
     """
     dir_id = files_to_check_dict[file_path]["id_dir"].split("/")
     fn_id = files_to_check_dict[file_path]["id_fn"].split("_")
-    if project_id in dir_id:
-        last_index = len(dir_id) - 1 - dir_id[::-1].index(project_id)
-        dsid = ".".join(dir_id[last_index:])
-    else:
-        dsid = ".".join(dir_id)
+    dsid = ".".join(dir_id)
+    dir_id_lower = [el.lower() for el in dir_id]
+    for project_id in project_ids:
+        if project_id in dir_id_lower:
+            last_index = len(dir_id_lower) - 1 - dir_id_lower[::-1].index(project_id)
+            dsid = ".".join(dir_id[last_index:])
+            break
     if len(dataset_files_map_ext[files_to_check_dict[file_path]["id_dir"]].keys()) > 1:
         dsid += "." + ".".join(fn_id)
     return dsid
 
 
+def get_installed_checker_versions():
+    """
+    Get all available versions of installed cc-plugins.
+
+    Returns
+    -------
+    dict
+        A dictionary of {checker_name: [version1, version2, latest], ...}.
+    """
+    check_suite = CheckSuite()
+    check_suite.load_all_available_checkers()
+    installed_versions = {}
+    for checker in check_suite.checkers:
+        try:
+            name, version = checker.split(":")
+        except ValueError:
+            name, version = checker, "latest"
+        if version == "latest":
+            continue
+        if name not in installed_versions:
+            installed_versions[name] = []
+        installed_versions[name].append(version)
+    for name, versions in installed_versions.items():
+        installed_versions[name] = sorted(versions, key=pversion.parse) + ["latest"]
+
+    return installed_versions
+
+
 def get_checker_release_versions(checkers, checker_options={}):
     """
     Get the release versions of the checkers.
@@ -117,6 +149,12 @@ def get_checker_release_versions(checkers, checker_options={}):
                 )
             elif checker.split(":")[0] in checker_dict_ext:
                 checker_release_versions[checker.split(":")[0]] = version
+            else:
+                checker_release_versions[checker.split(":")[0]] = (
+                    check_suite.checkers.get(
+                        checker, "unknown version"
+                    )._cc_spec_version
+                )
 
 
 def run_compliance_checker(file_path, checkers, checker_options={}):
@@ -166,8 +204,13 @@ def run_compliance_checker(file_path, checkers, checker_options={}):
                         ds, [checker], include_checks=None, skip_checks=[]
                     )
                 )
+        if hasattr(ds, "close"):
+            ds.close()
         return results
-    return check_suite.run_all(ds, checkers, include_checks=None, skip_checks=[])
+    results = check_suite.run_all(ds, checkers, include_checks=None, skip_checks=[])
+    if hasattr(ds, "close"):
+        ds.close()
+    return results
 
 
 def track_checked_datasets(checked_datasets_file, checked_datasets):
@@ -263,14 +306,6 @@ def process_file(
         checker = checkerv.split(":")[0]
         check_results[checker] = dict()
         check_results[checker]["errors"] = {}
-        # print()
-        # print("name",result[checker][0][0].name)
-        # print("weight", result[checker][0][0].weight)
-        # print("value", result[checker][0][0].value)
-        # print("msgs", result[checker][0][0].msgs)
-        # print("method", result[checker][0][0].check_method)
-        # print("children", result[checker][0][0].children)
-        # quit()
         for check in result[checkerv][0]:
             check_results[checker][check.name] = {}
             check_results[checker][check.name]["weight"] = check.weight
@@ -481,13 +516,17 @@ def main():
         "--option",
         default=[],
         action="append",
-        help="Additional options to be passed to the checkers. Format: '<checker>:<option_name>[:<option_value>]'. Multiple invocations possible.",
+        help="Additional options to be passed to the checkers. Format: '<checker>:<option_name>[:<option_value>]'. "
+        "Multiple invocations possible.",
     )
     parser.add_argument(
         "-t",
         "--test",
         action="append",
-        help="The test to run ('cc6:latest' or 'cf:<version>', can be specified multiple times, eg.: '-t cc6:latest -t cf:1.8') - default: running 'cc6:latest' and 'cf:1.11'.",
+        help="The test(s) to run in format '<checker>[:<version>]', (eg. 'wcrp_cmip7', "
+        "'wcrp_cmip6:latest' or 'cf:<version>', can be specified multiple times, "
+        "eg.: '-t cc6:latest -t cf:1.11') - default: running 'cf:latest'. "
+        "The default version selected for each checker is 'latest'.",
     )
     parser.add_argument(
         "-i",
@@ -507,6 +546,13 @@ def main():
         action="store_true",
         help="Include basic consistency and continuity checks. Default: False.",
     )
+    parser.add_argument(
+        "-P",
+        "--parallel_processes",
+        type=int,
+        default=0,
+        help="Specify the maximum number of parallel processes. Default: 0 (= number of cores).",
+    )
     args = parser.parse_args()
 
     result_dir = os.path.abspath(args.output_dir)
@@ -518,6 +564,7 @@ def main():
         args.include_consistency_checks if args.include_consistency_checks else False
     )
     cl_checker_options = parse_options(args.option)
+    parallel_processes = args.parallel_processes
 
     # Progress file to track already checked files
     progress_file = Path(result_dir, "progress.txt")
@@ -527,15 +574,15 @@ def main():
     # Resume information stored in a json file
     resume_info_file = Path(result_dir, ".resume_info")
 
-    # Do not allow arguments other than -o/--output_dir, -i/--info and -r/--resume if resuming previous QA run
+    # Do not allow any but certain arguments if resuming previous QA run
     if resume:
-        allowed_with_resume = {"output_dir", "info", "resume"}
+        allowed_with_resume = {"output_dir", "info", "resume", "parallel_processes"}
         # Convert Namespace to dict for easier checking
         set_args = {k for k, v in vars(args).items() if v not in (None, False, [], "")}
         invalid_args = set_args - allowed_with_resume
         if invalid_args:
             parser.error(
-                f"When using -r/--resume, only -o/--output_dir and -i/--info can be set. Invalid: {', '.join(invalid_args)}"
+                f"When using -r/--resume, the following arguments are not allowed: {', '.join(invalid_args)}"
             )
 
     # Deal with result_dir
@@ -622,12 +669,13 @@ def main():
         checker_options = defaultdict(dict)
     else:
         # Require versions to be specified:
-        # test_regex = re.compile(r"^[a-z0-9_]+:(latest|[0-9]+(\.[0-9]+)*)$")
+        # test_regex = re.compile(r"^[a-zA-Z0-9_-]+:(latest|[0-9]+(\.[0-9]+)*)$")
         # Allow versions to be ommitted:
-        test_regex = re.compile(r"^[a-z0-9_]+(?::(latest|[0-9]+(?:\.[0-9]+)*))?$")
+        test_regex = re.compile(r"^[a-zA-Z0-9_-]+(?::(latest|[0-9]+(?:\.[0-9]+)*))?$")
+        # Check format of specified checkers and separate checker, version, options
         if not all([test_regex.match(test) for test in tests]):
             raise Exception(
-                f"Invalid test(s) specified. Please specify tests in the format 'checker_name' or'checker_name:version'. Currently supported are: {', '.join(list(checker_dict.keys()))}, eerie."
+                "Invalid test(s) specified. Please specify tests in the format 'checker_name' or'checker_name:version'."
             )
         checkers = [test.split(":")[0] for test in tests]
         if sorted(checkers) != sorted(list(set(checkers))):
@@ -641,6 +689,29 @@ def main():
             for test in tests
         }
         checker_options = defaultdict(dict)
+        # Check if specified checkers (or their requested versions) exist / are currently installed
+        cc_checker_versions = get_installed_checker_versions()
+        invalid_checkers = []
+        invalid_checkers_versions = []
+        invalid_checkers_errmsg = ""
+        for checker_i, checker_iv in checkers_versions.items():
+            if checker_i not in cc_checker_versions and checker_i != "eerie":
+                invalid_checkers.append(checker_i)
+            elif checker_i == "eerie":
+                pass
+            elif checker_iv not in cc_checker_versions[checker_i] and checker_i not in [
+                "cc6",
+                "mip",
+            ]:
+                invalid_checkers_versions.append(checker_i)
+        if invalid_checkers:
+            invalid_checkers_errmsg = f"ERROR: Invalid test(s) specified. The following checkers are not supported or installed: {', '.join(invalid_checkers)}. "
+        for checker_i in invalid_checkers_versions:
+            if not invalid_checkers_errmsg:
+                invalid_checkers_errmsg = "ERROR: Invalid test(s) specified. "
+            invalid_checkers_errmsg += f"For checker {checker_i} only the following versions are currently supported / installed: {', '.join(cc_checker_versions[checker_i])}. "
+        if invalid_checkers_errmsg:
+            raise ValueError(invalid_checkers_errmsg)
         if "cc6" in checkers_versions and checkers_versions["cc6"] != "latest":
             checkers_versions["cc6"] = "latest"
             warnings.warn("Version of checker 'cc6' must be 'latest'. Using 'latest'.")
@@ -665,10 +736,6 @@ def main():
             raise Exception(
                 "ERROR: Cannot run both 'cc6' and 'mip' checkers at the same time."
             )
-        if any(test not in checker_dict.keys() for test in checkers_versions):
-            raise Exception(
-                f"Invalid test(s) specified. Supported are: {', '.join(checker_dict.keys())}"
-            )
 
     # Combine checkers and versions
     #  (checker_options are hardcoded)
@@ -709,15 +776,6 @@ def main():
     progress_file.touch()
     dataset_file.touch()
 
-    DRS_parent = "CORDEX-CMIP6"
-    for cname in checkers:
-        DRS_parent_tmp = DRS_path_parent.get(
-            checker_dict.get(cname.split(":")[0], ""), ""
-        )
-        if DRS_parent_tmp:
-            DRS_parent = DRS_parent_tmp
-            break
-
     # Check if progress files exist and read already processed files/datasets
     processed_files = set()
     with open(progress_file) as file:
@@ -816,7 +874,7 @@ def main():
     files_to_check = sorted(files_to_check)
     for file_path in files_to_check:
         files_to_check_dict[file_path]["id"] = get_dsid(
-            files_to_check_dict, dataset_files_map_ext, file_path, DRS_parent
+            files_to_check_dict, dataset_files_map_ext, file_path, supported_project_ids
         )
         files_to_check_dict[file_path]["result_file_ds"] = (
             result_dir
@@ -884,22 +942,27 @@ def main():
         raise Exception("No files found to check.")
     else:
         print(
-            f"Found {len(files_to_check)} files (organized in {len(dataset_files_map)} datasets) to check."
+            f"\nFound {len(files_to_check)} files (organized in {len(dataset_files_map)} datasets) to check."
         )
 
-    print()
-    print("Files to check:")
-    print(json.dumps(files_to_check, indent=4))
-    print()
-    print("Dataset - Files mapping (extended):")
-    print(json.dumps(dataset_files_map_ext, indent=4))
-    print()
-    print("Dataset - Files mapping:")
-    print(json.dumps(dataset_files_map, indent=4))
-    print()
-    print("Files to check dict:")
-    print(json.dumps(files_to_check_dict, indent=4))
-    print()
+    # Save dictionaries to disk for information
+    with open(os.path.join(result_dir, "files_to_check.json"), "w") as f:
+        json.dump(files_to_check, f, indent=4)
+    with open(os.path.join(result_dir, "files_to_check_dict.json"), "w") as f:
+        json.dump(files_to_check_dict, f, indent=4)
+    with open(os.path.join(result_dir, "dataset_files_map.json"), "w") as f:
+        json.dump(dataset_files_map, f, indent=4)
+    with open(os.path.join(result_dir, "dataset_files_map_ext.json"), "w") as f:
+        json.dump(dataset_files_map_ext, f, indent=4)
+    print(
+        "Information on which files have been found and how these are organized into datasets was saved to disk:"
+    )
+    print(
+        f" - {os.path.join(result_dir, 'files_to_check.json')}\n"
+        f" - {os.path.join(result_dir, 'files_to_check_dict.json')}\n"
+        f" - {os.path.join(result_dir, 'dataset_files_map.json')}\n"
+        f" - {os.path.join(result_dir, 'dataset_files_map_ext.json')}"
+    )
 
     #########################################################
     # QA Part 1 - Run all compliance-checker checks
@@ -917,6 +980,8 @@ def main():
 
     # Calculate the number of processes
     num_processes = max(multiprocessing.cpu_count() - 4, 1)
+    if parallel_processes > 0:
+        num_processes = min(num_processes, parallel_processes)
     print(f"Using {num_processes} parallel processes for cc checks.")
     print()
 
@@ -963,13 +1028,8 @@ def main():
 
     # Skip continuity and consistency checks if no cc6/mip checks were run
     #   (and thus no consistency output file was created)
-    if (
-        "cc6:latest" in checkers
-        or "mip:latest" in checkers
-        or "wcrp_cmip6:1.0" in checkers
-        or "wcrp_cmip6:latest" in checkers
-        or "wcrp_cordex_cmip6:1.0" in checkers
-        or "wcrp_cordex_cmip6:latest" in checkers
+    if any(
+        ch.split(":", 1)[0] in checker_supporting_consistency_checks for ch in checkers
     ):
         #########################################################
         # QA Part 2 - Run all consistency & continuity checks
@@ -996,6 +1056,8 @@ def main():
         # Limit the number of processes for consistency checks since a lot
         #   of files will be opened at the same time
         num_processes = min(num_processes, 10)
+        if parallel_processes > 0:
+            num_processes = min(num_processes, parallel_processes)
         print(f"Using {num_processes} parallel processes for dataset checks.")
         print()
 
@@ -1046,7 +1108,9 @@ def main():
     else:
         print()
         warnings.warn(
-            "Continuity & Consistency checks skipped since no cc6 checks were run."
+            "Continuity & consistency checks skipped since no appropriate checkers were run."
+            " The following checkers support the continuity & consistency checks: "
+            f"{', '.join(checker_supporting_consistency_checks)}"
         )
 
     #########################################################
@@ -1074,7 +1138,7 @@ def main():
         "cc_version": cc_version,
         "checkers": ", ".join(
             [
-                f"{checker_dict.get(checker.split(':')[0], '')} {checker.split(':')[0]}:{checker_release_versions[checker.split(':')[0]]}"
+                f"{checker_dict.get(checker.split(':')[0], '')} {checker.split(':')[0]}:{checker_release_versions[checker.split(':')[0]]}".strip()
                 for checker in checkers
             ]
         ),

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/esgf_qa.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: esgf-qa
-Version: 0.4.0
+Version: 0.5.0
 Summary: QA based on compliance-checker
 Author-email: Martin Schupfner <schupfner@dkrz.de>
 Maintainer-email: Martin Schupfner <schupfner@dkrz.de>
@@ -21,6 +21,7 @@ Requires-Dist: cf_xarray
 Requires-Dist: compliance-checker>=5.3.0
 Requires-Dist: dask
 Requires-Dist: netCDF4
+Requires-Dist: packaging
 Requires-Dist: pandas
 Requires-Dist: textual
 Requires-Dist: xarray
@@ -53,7 +54,7 @@ Dynamic: license-file
 `esgf-qa` provides a flexible quality assurance (QA) workflow for evaluating dataset compliance using the
 [ioos/compliance-checker](https://github.com/ioos/compliance-checker) framework
 (including [CF](https://cfconventions.org/) compliance checks)
-and various community plugins (`cc-plugin`s), such as
+and any community plugins (`cc-plugin`s), such as
 [ESGF/cc-plugin-wcrp](https://github.com/ESGF/cc-plugin-wcrp) and
 [euro-cordex/cc-plugin-cc6](https://github.com/euro-cordex/cc-plugin-cc6).
 
@@ -65,8 +66,8 @@ Results from both file- and dataset-level checks are aggregated, summarized, and
 ### Currently supported checkers
 
 While `esgf-qa` has been primarily developed for workflows assessing compliance with WCRP project data specifications
-(e.g., CMIP, CORDEX), it can also be used for general CF-compliance testing and easily extended to support any
-`cc-plugin` and projects following CORDEX- or CMIP-style CMOR table conventions.
+(e.g., CMIP, CORDEX), it can also be used for general CF-compliance testing and generally supports any
+`cc-plugin`. It can be easily extended to support any projects following CORDEX- or CMIP-style CMOR table conventions.
 
 | Standard                                                                                             | Checker Name |
 | ---------------------------------------------------------------------------------------------------- | ------------ |
@@ -125,15 +126,16 @@ esgvoc status
 ## Usage
 
 ```shell
-$ esgqa [-h] [-o <OUTPUT_DIR>] [-t <TEST>] [-O OPTION] [-i <INFO>] [-r] [-C] <parent_dir>
+$ esgqa [-h] [-P <parallel_processes>] [-o <OUTPUT_DIR>] [-t <TEST>] [-O OPTION] [-i <INFO>] [-r] [-C] <parent_dir>
 ```
 
 - positional arguments:
   - `parent_dir`: Parent directory to scan for netCDF-files to check
 - options:
   - `-h, --help`: show this help message and exit
+  - `-P, --parallel_processes`: Specify the maximum number of parallel processes. Default: 0 (= number of cores).
   - `-o, --output_dir OUTPUT_DIR`: Directory to store QA results. Needs to be non-existing or empty or from previous QA run. If not specified, will store results in `./cc-qa-check-results/YYYYMMDD-HHmm_<hash>`.
-  - `-t, --test TEST`: The test to run (`'wcrp_cmip6:latest'`, `'wcrp_cordex_cmip6:latest'` or `'cf:<version>'`, can be specified multiple times, eg.: `'-t wcrp_cmip6:latest -t cf:1.7'`) - default: running latest CF checks `'cf:latest'`.
+  - `-t, --test TEST`: The test to run (eg. `'wcrp_cmip6:latest'`, `'wcrp_cordex_cmip6:latest'` or `'cf:<version>'`, can be specified multiple times, eg.: `'-t wcrp_cmip6:latest -t cf:1.7'`) - default: running latest CF checks `'cf:latest'`. If the version is omitted, `latest` will be used.
   - `-O, --option OPTION`: Additional options to be passed to the checkers. Format: `'<checker>:<option_name>[:<option_value>]'`. Multiple invocations possible.
   - `-i, --info INFO`:  Information used to tag the QA results, eg. the simulation id to identify the checked run. Suggested is the original experiment-id you gave the run.
   - `-r, --resume`: Specify to continue a previous QC run. Requires the `<output_dir>` argument to be set.
@@ -142,7 +144,7 @@ $ esgqa [-h] [-o <OUTPUT_DIR>] [-t <TEST>] [-O OPTION] [-i <INFO>] [-r] [-C] <pa
 ### Example Usage
 
 ```shell
-$ esgqa -t wcrp_cordex_cmip6:latest -t cf:1.11 -o QA_results/IAEVALL02_2025-10-20 -i "IAEVALL02" ESGF_Buff/IAEVALL02/CORDEX-CMIP6
+$ esgqa -P 8 -t wcrp_cordex_cmip6:latest -t cf:1.11 -o QA_results/IAEVALL02_2025-10-20 -i "IAEVALL02" ESGF_Buff/IAEVALL02/CORDEX-CMIP6
 ```
 
 To resume at a later date, eg. if the QA run did not finish in time or more files have been added to the `<parent_dir>`
@@ -156,7 +158,7 @@ $ esgqa -o QA_results/IAEVALL02_2025-10-20 -r
 For a custom MIP with defined CMOR tables (`"mip"` is not a placeholder but an actual basic checker of the `cc_plugin_cc6`):
 
 ```shell
-$ esgqa -o /path/to/test/results -t "mip:latest" -O "mip:tables:/path/to/mip_cmor_tables/Tables" /path/to/MIP/datasets/`
+$ esgqa -o /path/to/test/results -t "mip:latest" -O "mip:tables:/path/to/mip_cmor_tables/Tables" /path/to/MIP/datasets/
 ```
 
 For CF checks and basic time and consistency / continuity checks:

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/esgf_qa.egg-info/SOURCES.txt

@@ -1,4 +1,3 @@
-.pre-commit-config.yaml
 HISTORY.rst
 LICENSE
 MANIFEST.in

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/esgf_qa.egg-info/requires.txt

@@ -3,6 +3,7 @@ cf_xarray
 compliance-checker>=5.3.0
 dask
 netCDF4
+packaging
 pandas
 textual
 xarray

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/pyproject.toml

@@ -32,6 +32,7 @@ dependencies = [
   "compliance-checker>=5.3.0",
   "dask",
   "netCDF4",
+  "packaging",
   "pandas",
   "textual",
   "xarray",

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/tests/test_cli.py

@@ -230,7 +230,7 @@ class TestQACommandLine:
             ),
             (
                 ["-r", "-t", "cf:latest", "-o", "some_dir"],
-                "When using -r/--resume, only -o/--output_dir and -i/--info can be set",
+                "When using -r/--resume, the following arguments are not allowed",
             ),
         ],
     )
@@ -251,8 +251,12 @@ class TestQACommandLine:
                 ["-t", "cf:latest", "-o", str(output_dir), str(self.cmip6_dir)]
             )
             json_files = list(output_dir.glob("*.json"))
-            assert len(json_files) == 2
-            with open(json_files[0]) as f:
+            assert len(json_files) == 6
+            json_result_files = [
+                f for f in json_files if f.name.startswith("qa_result_")
+            ]
+            assert len(json_result_files) == 2
+            with open(json_result_files[0]) as f:
                 data = json.load(f)
             # "info" is the only required field
             assert "info" in data

{esgf_qa-0.4.0 → esgf_qa-0.5.0}/tests/test_run_qa.py

@@ -61,7 +61,7 @@ def test_get_dsid():
         },
     }
     file_path = f"/path/to/{project_id}/drs/elements/until/file1_1950-1960.nc"
-    dsid = get_dsid(files_to_check_dict, dataset_files_map_ext, file_path, project_id)
+    dsid = get_dsid(files_to_check_dict, dataset_files_map_ext, file_path, [project_id])
     assert dsid == "my_project.drs.elements.until"
 
 

esgf_qa-0.4.0/.pre-commit-config.yaml

@@ -1,57 +0,0 @@
-default_language_version:
-    python: python3
-
-repos:
-  - repo: https://github.com/asottile/pyupgrade
-    rev: v3.21.0
-    hooks:
-    -   id: pyupgrade
-        args: [ '--py39-plus' ]
-  - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v6.0.0
-    hooks:
-      - id: trailing-whitespace
-      - id: end-of-file-fixer
-      - id: check-toml
-      - id: check-yaml
-      - id: debug-statements
-      - id: mixed-line-ending
-  - repo: https://github.com/pappasam/toml-sort
-    rev: v0.24.3
-    hooks:
-      - id: toml-sort-fix
-  - repo: https://github.com/psf/black-pre-commit-mirror
-    rev: 25.9.0
-    hooks:
-      - id: black
-  - repo: https://github.com/PyCQA/isort
-    rev: 7.0.0
-    hooks:
-    - id: isort
-      args: ['--profile', 'black']
-  - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.14.3
-    hooks:
-      - id: ruff
-        args:
-          - --fix
-          - --exit-non-zero-on-fix
-  - repo: https://github.com/python-jsonschema/check-jsonschema
-    rev: 0.34.1
-    hooks:
-      - id: check-github-workflows
-  - repo: meta
-    hooks:
-      - id: check-hooks-apply
-      - id: check-useless-excludes
-
-ci:
-  autofix_commit_msg: |
-    [pre-commit.ci] auto fixes from pre-commit.com hooks
-    for more information, see https://pre-commit.ci
-  autofix_prs: true
-  autoupdate_branch: ''
-  autoupdate_commit_msg: '[pre-commit.ci] pre-commit autoupdate'
-  autoupdate_schedule: weekly
-  skip: [ ]
-  submodules: false