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remove moldrug dependency during vina download
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ale94mleon committed Nov 26, 2023
1 parent df8dd40 commit 64ba3b3
Showing 1 changed file with 7 additions and 4 deletions.
11 changes: 7 additions & 4 deletions tests/get_vina.py
Original file line number Diff line number Diff line change
@@ -1,18 +1,21 @@
import subprocess
import sysconfig

from moldrug import utils

def run(command):
subprocess.run(command, shell=True, executable='/bin/bash', stdout=subprocess.PIPE, stderr=subprocess.PIPE, text=True)


def download():
operating_system = sysconfig.get_platform().lower()

if operating_system.startswith('macos'):
utils.run("""
run("""
curl -L https://github.com/ccsb-scripps/AutoDock-Vina/releases/download/v1.2.5/vina_1.2.5_mac_x86_64 > vina
chmod a+x vina
""")
elif operating_system.startswith('linux'):
utils.run("""
run("""
wget https://github.com/ccsb-scripps/AutoDock-Vina/releases/download/v1.2.5/vina_1.2.5_linux_x86_64
mv vina_1.2.5_linux_x86_64 vina
chmod a+x vina
Expand All @@ -22,4 +25,4 @@ def download():


if __name__ == "__main__":
download()
download()

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