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-rw-r--r--fix_entrypoint.patch74
1 files changed, 74 insertions, 0 deletions
diff --git a/fix_entrypoint.patch b/fix_entrypoint.patch
new file mode 100644
index 000000000000..cb004817eb72
--- /dev/null
+++ b/fix_entrypoint.patch
@@ -0,0 +1,74 @@
+--- pdb2pqr/__init__.py 2020-07-03 20:02:43.000000000 +0300
++++ pdb2pqr/__init__.py 2020-08-25 20:48:59.940600307 +0300
+@@ -6,11 +6,11 @@
+ For more information, see http://www.poissonboltzmann.org/
+ """
+ import logging
+ from sys import version_info
+ assert version_info >= (3, 5)
+-from .main import main, build_parser
++from .main import main_driver, build_parser
+
+
+ _LOGGER = logging.getLogger(__name__)
+ logging.captureWarnings(True)
+
+@@ -18,6 +18,6 @@
+ if __name__ == "__main__":
+ logging.basicConfig(level=logging.DEBUG)
+ logging.captureWarnings(True)
+ parser = build_parser()
+ args = parser.parse_args()
+- main(args)
++ main_driver(args)
+--- pdb2pqr/__main__.py 2020-07-03 20:02:43.000000000 +0300
++++ pdb2pqr/__main__.py 2020-08-25 20:49:15.213902523 +0300
+@@ -6,11 +6,11 @@
+ For more information, see http://www.poissonboltzmann.org/
+ """
+ import logging
+ from sys import version_info
+ assert version_info >= (3, 5)
+-from pdb2pqr.main import main, build_parser
++from pdb2pqr.main import main_driver, build_parser
+
+
+ _LOGGER = logging.getLogger(__name__)
+ logging.captureWarnings(True)
+
+@@ -18,6 +18,6 @@
+ if __name__ == "__main__":
+ logging.basicConfig(level=logging.DEBUG)
+ logging.captureWarnings(True)
+ parser = build_parser()
+ args = parser.parse_args()
+- main(args)
++ main_driver(args)
+--- pdb2pqr/main.py 2020-07-03 20:02:43.000000000 +0300
++++ pdb2pqr/main.py 2020-08-25 20:50:27.673754924 +0300
+@@ -533,11 +533,11 @@
+ lines = io.print_protein_atoms(matched_atoms, args.keep_chain)
+
+ return {"lines": lines, "header": header, "missed_residues": missing_atoms}
+
+
+-def main(args):
++def main_driver(args):
+ """Main driver for running program from the command line.
+
+ Validate inputs, launch PDB2PQR, handle output.
+
+ Args:
+@@ -581,5 +581,12 @@
+ missing_lines=results["missed_residues"], is_cif=is_cif)
+
+ if args.apbs_input:
+ raise NotImplementedError("Missing argument for APBS input file.")
+ io.dump_apbs(args.output_pqr)
++
++
++def main():
++ """Hook for command-line usage."""
++ parser = build_parser()
++ args = parser.parse_args()
++ main_driver(args)