From d881d633e5d939a50d46b78179373750579f4a51 Mon Sep 17 00:00:00 2001 From: "Jimmy C. Kromann" Date: Mon, 13 Jan 2025 17:53:07 +0100 Subject: [PATCH] Added manifest for tar pip package and removed qml from non-qml tests (#125) * Added manifest for pip package and tar * Remove qml dependency on non-qml test --- MANIFEST.in | 4 ++++ tests/test_pdb.py | 2 +- 2 files changed, 5 insertions(+), 1 deletion(-) create mode 100644 MANIFEST.in diff --git a/MANIFEST.in b/MANIFEST.in new file mode 100644 index 0000000..dbe7fe6 --- /dev/null +++ b/MANIFEST.in @@ -0,0 +1,4 @@ +include *.py +include tests/conftest.py +recursive-include tests/resources *.xyz +recursive-include tests/resources *.pdb diff --git a/tests/test_pdb.py b/tests/test_pdb.py index aebd024..9c60598 100644 --- a/tests/test_pdb.py +++ b/tests/test_pdb.py @@ -14,7 +14,7 @@ def test_pdb_only_carbon_possible() -> None: cmd = f"{filename_a} {filename_b}" _ = rmsdlib.main(cmd.split()) - cmd = f"--reorder --reorder-method qml --only-alpha-carbons {filename_a} {filename_b}" + cmd = f"--reorder --only-alpha-carbons {filename_a} {filename_b}" out = rmsdlib.main(cmd.split()) print(out)