Merge pull request #306 from MachineLearningLifeScience/feature/add-uv-support

Adds support for uv installation

Author: miguelgondu

.gitignore

@@ -34,3 +34,7 @@ docs/source/generated/
 
 # Ignore slurm scripts
 slurm_scripts/
+
+# Ignore uv-related files
+uv.lock
+.python-version

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}'
+replace = 'version: {new_version}'
+
+[dependency-groups]
+dev = [
+    "pre-commit>=4.2.0",
+]