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