From 2ee1091cd624058ef96bdf71829125c2d31ab216 Mon Sep 17 00:00:00 2001
From: HuangJiameng <105633685+HuangJiameng@users.noreply.github.com>
Date: Thu, 5 Jan 2023 17:14:37 +0800
Subject: [PATCH 1/3] replace all python3 by sys.executable

---
 dpgen/data/gen.py  | 1 +
 dpgen/data/surf.py | 3 ++-
 2 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/dpgen/data/gen.py b/dpgen/data/gen.py
index c64eb4703..2a40c9413 100644
--- a/dpgen/data/gen.py
+++ b/dpgen/data/gen.py
@@ -708,6 +708,7 @@ def pert_scaled(jdata) :
         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 = pert_cmd.replace('python3', sys.executable)
     for ii in sys_pe :
         for jj in scale :
             path_work = path_sp
diff --git a/dpgen/data/surf.py b/dpgen/data/surf.py
index 0944ac34f..bcf0a61c4 100644
--- a/dpgen/data/surf.py
+++ b/dpgen/data/surf.py
@@ -495,8 +495,9 @@ 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 = "python3 "+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)    
+    pert_cmd = pert_cmd.replace('python3', sys.executable)
     for ii in sys_pe :
         for jj in scale :
             path_scale = path_sp

From 64095ab66e3575d39a52150d226a6a1914b92de4 Mon Sep 17 00:00:00 2001
From: HuangJiameng <105633685+HuangJiameng@users.noreply.github.com>
Date: Thu, 5 Jan 2023 17:29:39 +0800
Subject: [PATCH 2/3] import sys

---
 dpgen/data/surf.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/dpgen/data/surf.py b/dpgen/data/surf.py
index bcf0a61c4..871e22517 100644
--- a/dpgen/data/surf.py
+++ b/dpgen/data/surf.py
@@ -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

From fd9e2a3300afa8abf0a0f2d44d0e06f85722ef1e Mon Sep 17 00:00:00 2001
From: HuangJiameng <105633685+HuangJiameng@users.noreply.github.com>
Date: Thu, 5 Jan 2023 21:55:28 +0800
Subject: [PATCH 3/3] replace python3 in command with sys.executable in a more
 direct way

---
 dpgen/data/gen.py  | 3 +--
 dpgen/data/surf.py | 3 +--
 2 files changed, 2 insertions(+), 4 deletions(-)

diff --git a/dpgen/data/gen.py b/dpgen/data/gen.py
index 2a40c9413..6cc3ff997 100644
--- a/dpgen/data/gen.py
+++ b/dpgen/data/gen.py
@@ -707,8 +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 = pert_cmd.replace('python3', sys.executable)
+    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
diff --git a/dpgen/data/surf.py b/dpgen/data/surf.py
index 871e22517..ed33e9de7 100644
--- a/dpgen/data/surf.py
+++ b/dpgen/data/surf.py
@@ -495,9 +495,8 @@ def pert_scaled(jdata) :
     sys_pe.sort()
     os.chdir(cwd)    
 
-    pert_cmd = "python3 "+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)    
-    pert_cmd = pert_cmd.replace('python3', sys.executable)
     for ii in sys_pe :
         for jj in scale :
             path_scale = path_sp