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Replace "python3" in command by sys.executable #1105

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merged 3 commits into from
Jan 6, 2023
Merged

Replace "python3" in command by sys.executable #1105

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2ee1091
replace all python3 by sys.executable
HuangJiameng Jan 5, 2023
64095ab
import sys
HuangJiameng Jan 5, 2023
fd9e2a3
replace python3 in command with sys.executable in a more direct way
HuangJiameng Jan 5, 2023
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2 changes: 1 addition & 1 deletion dpgen/data/gen.py
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Original file line number Diff line number Diff line change
Expand Up @@ -707,7 +707,7 @@ def pert_scaled(jdata) :
if jdata['init_fp_style'] == "ABACUS":
fp_style = "abacus"
poscar_name = "STRU"
pert_cmd = 'python3 ' + pert_cmd + ' -etmax %f -ofmt %s %s %d %f > /dev/null' %(pert_box, fp_style, poscar_name, pert_numb, pert_atom)
pert_cmd = sys.executable + ' ' + pert_cmd + ' -etmax %f -ofmt %s %s %d %f > /dev/null' %(pert_box, fp_style, poscar_name, pert_numb, pert_atom)
for ii in sys_pe :
for jj in scale :
path_work = path_sp
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4 changes: 2 additions & 2 deletions dpgen/data/surf.py
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
#!/usr/bin/env python3

import warnings
import os,json,shutil,re,glob,argparse
import os,json,shutil,re,glob,argparse,sys
import numpy as np
import subprocess as sp
import dpgen.data.tools.hcp as hcp
Expand Down Expand Up @@ -495,7 +495,7 @@ def pert_scaled(jdata) :
sys_pe.sort()
os.chdir(cwd)

pert_cmd = "python "+os.path.join(ROOT_PATH, 'data/tools/create_random_disturb.py')
pert_cmd = sys.executable + ' ' + os.path.join(ROOT_PATH, 'data/tools/create_random_disturb.py')
pert_cmd += ' -etmax %f -ofmt vasp POSCAR %d %f > /dev/null' %(pert_box, pert_numb, pert_atom)
for ii in sys_pe :
for jj in scale :
Expand Down