Check pyiron installation

pyiron_base/__init__.py

@@ -39,6 +39,7 @@
 from pyiron_base.jobs.job.extension.server.queuestatus import validate_que_request
 from pyiron_base.state.settings import Settings
 from pyiron_base.state.install import install_dialog
+from pyiron_base.state.check import check_executables_status
 from pyiron_base.jobs.datamining import PyironTable, TableJob
 from pyiron_base.interfaces.object import HasDatabase, HasStorage, PyironObject
 from pyiron_base.database.performance import get_database_statistics

pyiron_base/state/check.py

@@ -0,0 +1,80 @@
+import os
+import stat
+import glob
+import pandas
+
+try:
+    from conda.cli import python_api
+
+    conda_imported_successful = True
+except ImportError:
+    conda_imported_successful = False
+
+from pyiron_base import state
+
+conda_package_dict = {
+    "atomicrex": "atomicrex",
+    "cp2k": "cp2k",
+    "damask": "damask",
+    "mlip": "mlip",
+    "lammps": "lammps",
+    "quantumespresso": "qe",
+    "randspg": "randspg",
+    "runner": "runner",
+    "sphinx": "sphinxdft",
+}
+
+
+def check_for_conda_package(name):
+    lst = [l for l in python_api.run_command("list")[0].split("\n") if name + " " in l]
+    if len(lst) == 0:
+        return False
+    else:
+        return True
+
+
+def check_executable_bit(resource_paths):
+    def check_bit(script_path):
+        filemode = os.stat(script_path).st_mode
+        return bool(
+            filemode & stat.S_IXUSR
+            or filemode & stat.S_IXGRP
+            or filemode & stat.S_IXOTH
+        )
+
+    path_lst = []
+    for res_path in resource_paths:
+        path_lst += glob.glob(res_path + "/*/*/*.sh")
+    return {p: check_bit(script_path=p) for p in path_lst}
+
+
+def check_executables_status():
+    executables_dict = check_executable_bit(
+        resource_paths=state.settings.configuration["resource_paths"]
+    )
+    if conda_imported_successful:
+        conda_lst = [
+            check_for_conda_package(name=conda_package_dict[f])
+            if f is not None and f in conda_package_dict.keys()
+            else False
+            for f in [
+                p.split("/")[-3] if "/share/pyiron/" in p else None
+                for p in executables_dict.keys()
+            ]
+        ]
+        return pandas.DataFrame(
+            {
+                "name": [p.split("/")[-3] for p in executables_dict.keys()],
+                "path": list(executables_dict.keys()),
+                "executable_bit": list(executables_dict.values()),
+                "conda_package_installed": conda_lst,
+            }
+        )
+    else:
+        return pandas.DataFrame(
+            {
+                "name": [p.split("/")[-3] for p in executables_dict.keys()],
+                "path": list(executables_dict.keys()),
+                "executable_bit": list(executables_dict.values()),
+            }
+        )