From 4b5d32ee79ea3140d4632942aef044c5d51ec812 Mon Sep 17 00:00:00 2001 From: "Lori A. Burns" Date: Tue, 17 Sep 2024 14:27:39 -0400 Subject: [PATCH] revise nwchem version for version processing change in qcel --- qcengine/programs/nwchem/runner.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/qcengine/programs/nwchem/runner.py b/qcengine/programs/nwchem/runner.py index fa3c59fb..7186624e 100644 --- a/qcengine/programs/nwchem/runner.py +++ b/qcengine/programs/nwchem/runner.py @@ -104,13 +104,13 @@ def get_version(self) -> str: success, output = execute(command, {"v.nw": ""}, scratch_directory=config.scratch_directory) if success: - print("REV", output["stdout"]) + revision = "" for line in output["stdout"].splitlines(): if "nwchem branch" in line: branch = line.strip().split()[-1] if "nwchem revision" in line: - revision = line.strip().split()[-1] - self.version_cache[which_prog] = safe_version(branch + "+" + revision) + revision = "+" + line.strip().split()[-1] + self.version_cache[which_prog] = safe_version(branch + revision) else: raise UnknownError(output["stderr"])