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Merge remote-tracking branch 'origin/master'
2 parents a855376 + 67bd79a commit b63a594

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GMXMMPBSA/utils.py

Lines changed: 2 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -645,15 +645,14 @@ def find_progs(INPUT, mpi_size=0):
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# The returned dictionary:
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my_progs = {}
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search_parth = INPUT['gmx_path'] or os.environ['PATH']
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for prog, needed in used_progs.items():
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my_progs[prog] = shutil.which(prog, path=search_parth)
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my_progs[prog] = shutil.which(prog, path=os.environ['PATH'])
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if needed:
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if not my_progs[prog]:
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GMXMMPBSA_ERROR('Could not find necessary program [%s]' % prog)
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logging.info('%s found! Using %s' % (prog, str(my_progs[prog])))
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search_parth = INPUT['gmx_path'] or os.environ['PATH']
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g5 = False
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for gv, g_exes in gro_exe.items():
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if gv == 'gmx5':

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