diff --git a/.github/workflows/mypy.yaml b/.github/workflows/mypy.yaml index 8eb165688..c8b9337cb 100644 --- a/.github/workflows/mypy.yaml +++ b/.github/workflows/mypy.yaml @@ -36,6 +36,7 @@ jobs: cache-downloads-key: downloads-${{ steps.date.outputs.date }} create-args: >- python=3.9 + rdkit=2023.09.5 init-shell: bash - name: "Install steps" diff --git a/openfecli/commands/quickrun.py b/openfecli/commands/quickrun.py index 8be380352..dcd6f9d33 100644 --- a/openfecli/commands/quickrun.py +++ b/openfecli/commands/quickrun.py @@ -133,12 +133,6 @@ def quickrun(transformation, work_dir, output): json.dump(out_dict, outf, cls=JSON_HANDLER.encoder) write(f"Here is the result:\n\tdG = {estimate} ± {uncertainty}\n") - - write("Additional information:") - for result in dagresult.protocol_unit_results: - write(f"{result.name}:") - write(result.outputs) - write("") if not dagresult.ok(): diff --git a/openfecli/tests/commands/test_quickrun.py b/openfecli/tests/commands/test_quickrun.py index c09ca7d76..d78b82827 100644 --- a/openfecli/tests/commands/test_quickrun.py +++ b/openfecli/tests/commands/test_quickrun.py @@ -29,7 +29,6 @@ def test_quickrun(extra_args, json_file): result = runner.invoke(quickrun, [json_file] + extras) assert result.exit_code == 0 assert "Here is the result" in result.output - assert "Additional information" in result.output if outfile := extra_args.get('-o'): assert pathlib.Path(outfile).exists()