add incomplete draft of quick input file lister

tools/regression-tests/get-quick-list.py

@@ -0,0 +1,154 @@
+#!/usr/bin/env python3
+"""
+Find all example input files containing commands changed in this branch versus develop.
+Companion script to run_tests.py regression tester.
+"""
+
+import os, re, sys
+from glob import glob
+import subprocess
+
+# infer top level lammps dir
+LAMMPS_DIR = os.path.realpath(os.path.join(os.path.dirname(__file__), '..', '..'))
+
+# get list of changed files relative to the develop branch from git
+output = None
+try:
+    output = subprocess.run('git diff --diff-filter=MA --name-status develop',
+                            shell=True, capture_output=True)
+except:
+    pass
+
+# collect header files to check for styles
+headers = []
+if output:
+    for changed in output.stdout.decode().split():
+        if (changed == 'A') or (changed == 'M'): continue
+        if not changed.startswith('src/'): continue
+        if changed.endswith('.h'): headers.append(changed)
+        if changed.endswith('.cpp'): headers.append(changed.replace('.cpp','.h'))
+
+# now loop over header files, search for XxxxStyle() macros and append style name
+command = []
+atom = []
+compute = []
+fix = []
+pair = []
+body = []
+bond = []
+angle = []
+dihedral = []
+improper = []
+kspace = []
+dump = []
+region = []
+integrate = []
+minimize = []
+
+style_pattern = re.compile(r"(.+)Style\((.+),(.+)\)")
+upper = re.compile("[A-Z]+")
+gpu = re.compile("(.+)/gpu$")
+intel = re.compile("(.+)/intel$")
+kokkos = re.compile("(.+)/kk$")
+kokkos_skip = re.compile("(.+)/kk/(host|device)$")
+omp = re.compile("(.+)/omp$")
+opt = re.compile("(.+)/opt$")
+removed = re.compile("(.*)Deprecated$")
+
+for file in headers:
+    with open(file) as f:
+        for line in f:
+            matches = style_pattern.findall(line)
+            for m in matches:
+                # skip over internal styles w/o explicit documentation
+                style = m[1]
+                if upper.match(style):
+                    continue
+
+                # skip over suffix styles:
+                suffix = kokkos_skip.match(style)
+                if suffix:
+                    continue
+                suffix = gpu.match(style)
+                if suffix:
+                    continue
+                suffix = intel.match(style)
+                if suffix:
+                    continue
+                suffix = kokkos.match(style)
+                if suffix:
+                    continue
+                suffix = omp.match(style)
+                if suffix:
+                    continue
+                suffix = opt.match(style)
+                if suffix:
+                    continue
+                deprecated = removed.match(m[2])
+                if deprecated:
+                    continue
+
+                # register style and suffix flags
+                if m[0] == 'Angle':
+                    angle.append(style)
+                elif m[0] == 'Atom':
+                    atom.append(style)
+                elif m[0] == 'Body':
+                    register_style(body,style,info)
+                elif m[0] == 'Bond':
+                    bond.applend(style)
+                elif m[0] == 'Command':
+                    command.append(style)
+                elif m[0] == 'Compute':
+                    compute.append(style)
+                elif m[0] == 'Dihedral':
+                    dihedral.append(style)
+                elif m[0] == 'Dump':
+                    dump.append(style)
+                elif m[0] == 'Fix':
+                    fix.append(style)
+                elif m[0] == 'Improper':
+                    improper.append(style)
+                elif m[0] == 'Integrate':
+                    integrate.append(style)
+                elif m[0] == 'KSpace':
+                    kspace.append(style)
+                elif m[0] == 'Minimize':
+                    minimize.append(style)
+                elif m[0] == 'Pair':
+                    pair.append(style)
+                elif m[0] == 'Region':
+                    region.append(style)
+                else:
+                    pass
+
+if len(command):
+    print("Commands: ", '|'.join(command))
+if len(atom):
+    print("Atom styles: ", '|'.join(atom))
+if len(compute):
+    print("Compute styles: ", '|'.join(compute))
+if len(fix):
+    print("Fix styles: ", '|'.join(fix))
+if len(pair):
+    print("Pair styles: ", '|'.join(pair))
+if len(body):
+    print("Body styles: ", '|'.join(body))
+if len(bond):
+    print("Bond styles: ", '|'.join(bond))
+if len(angle):
+    print("Angle styles: ", '|'.join(angle))
+if len(dihedral):
+    print("Dihedral styles: ", '|'.join(dihedral))
+if len(improper):
+    print("Improper styles: ", '|'.join(improper))
+if len(kspace):
+    print("Kspace styles: ", '|'.join(kspace))
+if len(dump):
+    print("Dump styles: ", '|'.join(dump))
+if len(region):
+    print("Region styles: ", '|'.join(region))
+if len(integrate):
+    print("Integrate styles: ", '|'.join(integrate))
+if len(minimize):
+    print("Minimize styles: ", '|'.join(minimize))