Version bump; add boltzgen -v to get package version

Author: timodonnell

pyproject.toml

@@ -9,8 +9,9 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "boltzgen"
 requires-python = ">=3.9"
-#dynamic = ["version"]
-version = "0.1.3"
+version = "0.1.4"
+readme = "README.md"
+description = "Protein design"
 dependencies = [
     # Add runtime dependencies here
     "numpy==2.0.2",

src/boltzgen/cli/boltzgen.py

@@ -50,6 +50,7 @@
 from boltzgen.data.parse.schema import YamlDesignParser
 from boltzgen.data.write.mmcif import to_mmcif
 from boltzgen.task.task import Task
+from importlib.metadata import PackageNotFoundError, version as pkg_version
 
 ### Paths and constants ####
 # Get the path to the project root (where main.py and configs/ are located)
@@ -487,6 +488,19 @@ def build_parser() -> argparse.ArgumentParser:
         prog="boltzgen",
         description="Boltzgen command line interface",
     )
+    # Support: boltzgen -v / --version
+    def get_package_version() -> str:
+        try:
+            return pkg_version("boltzgen")
+        except PackageNotFoundError:
+            return "unknown"
+    parser.add_argument(
+        "-v",
+        "--version",
+        action="version",
+        version=f"boltzgen {get_package_version()}",
+        help="Print version and exit",
+    )
     subparsers = parser.add_subparsers(dest="command", required=True)
     build_run_parser(subparsers)
     build_configure_parser(subparsers)