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fix: replace removed distutils.spawn with shutil.which (Python 3.12+) #908

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Merged
alongd merged 2 commits into from
Jul 5, 2026
+11 −12
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fix: replace removed distutils.spawn with shutil.which (Python 3.12+) #908

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4548be9
fix: replace removed distutils.spawn with shutil.which (Python 3.12+)
alongd Jul 4, 2026
c62bdbb
fix: correct local ESS detection bugs (terachem key + found/not-found…
alongd Jul 4, 2026
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23 changes: 11 additions & 12 deletions arc/main.py
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Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,6 @@
import os
import shutil
import time
from distutils.spawn import find_executable
from IPython.display import display

from arc.common import (VERSION,
Expand Down Expand Up @@ -788,34 +787,34 @@ def determine_ess_settings(self, diagnostics=False):
# first look for ESS locally (e.g., when running ARC itself on a server)
if 'SSH_CONNECTION' in os.environ and diagnostics:
logger.info('Found "SSH_CONNECTION" in the os.environ dictionary, '
'using distutils.spawn.find_executable() to find ESS')
'using shutil.which() to find ESS')
if 'local' in servers:
g03 = find_executable('g03')
g09 = find_executable('g09')
g16 = find_executable('g16')
g03 = shutil.which('g03')
g09 = shutil.which('g09')
g16 = shutil.which('g16')
if g03 or g09 or g16:
if diagnostics:
logger.info(f'Found Gaussian: g03={g03}, g09={g09}, g16={g16}')
self.ess_settings['gaussian'] = ['local']
qchem = find_executable('qchem')
qchem = shutil.which('qchem')
if qchem:
self.ess_settings['qchem'] = ['local']
orca = find_executable('orca')
orca = shutil.which('orca')
if orca:
self.ess_settings['orca'] = ['local']
molpro = find_executable('molpro')
molpro = shutil.which('molpro')
if molpro:
self.ess_settings['molpro'] = ['local']
terachem = find_executable('terachem')
terachem = shutil.which('terachem')
if terachem:
self.ess_settings['molpro'] = ['local']
self.ess_settings['terachem'] = ['local']
if any([val for val in self.ess_settings.values()]):
if diagnostics:
logger.info('Found the following ESS on the local machine:')
logger.info([software for software, val in self.ess_settings.items() if val])
logger.info('\n')
else:
logger.info('Did not find ESS on the local machine\n\n')
else:
logger.info('Did not find ESS on the local machine\n\n')
else:
logger.info("\nNot searching for ESS locally ('local' wasn't specified in the servers dictionary)\n")

Expand Down