[cmake] Cleanup accross the entire build system (#5527)

Co-authored-by: Mathieu Taillefumier <mathieu.taillefumier@free.fr>

tools/precommit/check_file_properties.py

@@ -93,6 +93,7 @@ FLAG_EXCEPTIONS_RE = re.compile(r"|".join(FLAG_EXCEPTIONS))
 PORTABLE_FILENAME_RE = re.compile(r"^[a-zA-Z0-9._/#~=+-]*$")
 OP_RE = re.compile(r"[\\|()!&><=*/+-]")
 NUM_RE = re.compile(r"[0-9]+[ulUL]*")
+NO_DEFAULT_PATH_RE = re.compile(r"\bNO_DEFAULT_PATH\b")
 CP2K_FLAGS_RE = re.compile(
     r"FUNCTION cp2k_flags\(\)(.*)END FUNCTION cp2k_flags", re.DOTALL
 )
@@ -309,6 +310,14 @@ def check_file(path: pathlib.Path) -> List[str]:
                     f"{path}: CMake option {opt} not mentioned in docs/technologies section nor build-from-source.md"
                 ]
 
+    # NO_DEFAULT_PATH disables searching CMAKE_PREFIX_PATH and other default
+    # locations, which breaks Spack, system-package, and HPC-module installs
+    # unless every possible layout is hand-enumerated in PATHS/HINTS - don't use it.
+    if (
+        fn_ext == ".cmake" or path.name == "CMakeLists.txt"
+    ) and NO_DEFAULT_PATH_RE.search(content):
+        warnings += [f"{path}: Found NO_DEFAULT_PATH, please remove it"]
+
     # Check for DOIs that could be a bibliography reference.
     if re.match(r"docs/[^/]+/.*\.md", str(path)) and "docs/CP2K_INPUT" not in str(path):
         for line in content.splitlines():

tools/precommit/cmake-lint.yaml

@@ -0,0 +1,27 @@
+lint:
+  disabled_codes:
+    # Missing docstring on function/macro declaration - not CP2K's convention.
+    - C0111
+    # Line too long - false positive on the "#!"-style license banner that
+    # every .cmake/CMakeLists.txt file starts with; cmake-format deliberately
+    # does not rewrap "#!" comment lines, so they stay at their original width.
+    - C0301
+    # Invalid variable/argument/macro name - CP2K's convention is to prefix
+    # local/private names with one or more underscores (e.g. "_package_name",
+    # "__var") and to use snake_case for macros, neither of which matches
+    # cmake-lint's default naming patterns. This also fires spuriously on
+    # dynamically composed variable names like "CP2K_${_varname}_ROOT", which
+    # no static naming pattern can ever match.
+    - C0103
+    # Missing COMMENT in add_custom_command()/add_custom_target() - stylistic,
+    # not required by this codebase.
+    - C0113
+    # Bad indentation on wrapped multi-line arguments - cmake-lint's
+    # indentation heuristic disagrees with cmake-format's own line-wrapping
+    # in several already-formatted, correct files; not a reliable signal here.
+    - C0307
+    # "String looks like a variable reference missing an open tag" - false
+    # positive on deliberately-escaped "\${VAR}" references inside
+    # install(CODE "...") scripts, where the escaping defers expansion to
+    # install time on purpose.
+    - W0106

tools/precommit/precommit.py

@@ -256,6 +256,7 @@ def process_file(fn: str, allow_modifications: bool) -> None:
 
     if re.match(r"(.*/CMakeLists.txt)|(.*\.cmake)$", fn):
         run_remote_tool("cmakeformat", fn)
+        run_remote_tool("cmakelint", fn)
 
     if re.match(r"./data/.*POTENTIALS?$", fn):
         check_data_files()

tools/precommit/precommit_server.py

@@ -67,6 +67,18 @@ def cmakeformat():
     return run_tool(["cmake-format", "-i"], timeout=30)
 
 
+# ======================================================================================
+@app.route("/cmakelint", methods=["POST"])
+def cmakelint():
+    # Note: the config path must be passed as a single "--flag=value" token.
+    # cmake-lint's "-c"/"--config-files" option is nargs="+", so passing it as
+    # two separate argv tokens ("-c", path) would greedily swallow the target
+    # filename that run_tool() appends as another config file, and silently
+    # scan zero files instead.
+    config = f"--config-files={os.getcwd()}/cmake-lint.yaml"
+    return run_tool(["cmake-lint", config], timeout=30)
+
+
 # ======================================================================================
 @app.route("/fortitude", methods=["POST"])
 def fortitude():

tools/precommit/requirements.txt

@@ -23,6 +23,7 @@ mypy_extensions==1.1.0
 packaging==26.0
 pathspec==1.0.4
 platformdirs==4.9.2
+pyyaml==6.0.3
 pytokens==0.4.1
 ruamel.yaml==0.19.1
 six==1.17.0