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call python in subprocess as 'sys.executable' to make sure same pytho… #1

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4 changes: 2 additions & 2 deletions src/protein_shapes/prot_domain_classifier/prot_domain_classifier.py
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Original file line number Diff line number Diff line change
Expand Up @@ -43,14 +43,14 @@
else:
ref_embed_dir = output_dir / f"embeddings_{ref_suffix}"
subprocess.run(
["python", cur_dir / "embed.py", reference_structures, ref_embed_dir]
[sys.executable, cur_dir / "embed.py", reference_structures, ref_embed_dir]
)
_, ref_embeds = load_embeddings(ref_embed_dir)

samp_embed_dir = output_dir / f"embeddings_{samp_suffix}"

if embed_samples != "precomputed":
subprocess.run(["python", cur_dir / "embed.py", sampled_structures, samp_embed_dir])
subprocess.run([sys.executable, cur_dir / "embed.py", sampled_structures, samp_embed_dir])
else:
samp_embed_dir = sampled_structures

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4 changes: 2 additions & 2 deletions src/protein_shapes/proteinmpnn/embed.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@
from pathlib import Path
import os
import subprocess

import sys

def main():
parser = argparse.ArgumentParser(
Expand All @@ -20,7 +20,7 @@ def main():
run_script = cur_dir / "run.py"

clean_command = [str(clean_script), args.directory]
generate_json_command = ["python", str(generate_json_script), args.directory]
generate_json_command = [sys.executable, str(generate_json_script), args.directory]
# print(f"gen command: {generate_json_command}")

# subprocess.run(clean_command, check=True)
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4 changes: 2 additions & 2 deletions src/protein_shapes/proteinmpnn/proteinmpnn.py
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Original file line number Diff line number Diff line change
Expand Up @@ -49,15 +49,15 @@
else:
ref_embed_dir = output_dir / f"embeddings_{ref_suffix}"
subprocess.run(
["python", cur_dir / "embed.py", reference_structures, ref_embed_dir]
[sys.executable, cur_dir / "embed.py", reference_structures, ref_embed_dir]
)
_, ref_embeds = load_embeddings(ref_embed_dir)
ref_embeds = np.transpose(ref_embeds, (1, 0, 2))

samp_embed_dir = output_dir / f"embeddings_{samp_suffix}"

if embed_samples != "precomputed":
subprocess.run(["python", cur_dir / "embed.py", sampled_structures, samp_embed_dir])
subprocess.run([sys.executable, cur_dir / "embed.py", sampled_structures, samp_embed_dir])
else:
samp_embed_dir = sampled_structures

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