diff --git a/.gitignore b/.gitignore index f07c9811..0ac246ba 100644 --- a/.gitignore +++ b/.gitignore @@ -34,3 +34,7 @@ docs/source/generated/ # Ignore slurm scripts slurm_scripts/ + +# Ignore uv-related files +uv.lock +.python-version diff --git a/pyproject.toml b/pyproject.toml index bc51153a..6a84cec3 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -63,7 +63,7 @@ rmf = [ ] rosetta_energy = [ "biopython", - "pyrosetta", + "pyrosetta-installer", ] dev = ["black", "tox", "pytest", "bump-my-version"] docs = ["sphinx", "furo"] @@ -143,4 +143,9 @@ replace = 'version = "{new_version}"' [[tool.bumpversion.files]] filename = "CITATION.cff" search = 'version: {current_version}' -replace = 'version: {new_version}' \ No newline at end of file +replace = 'version: {new_version}' + +[dependency-groups] +dev = [ + "pre-commit>=4.2.0", +]