feat: deploy cmi agent skills via diffpy.app agentify

README.rst

@@ -40,6 +40,7 @@ User applications to help with tasks using diffpy packages. Currently it
 contains
 
 - `runmacro`: A runner for DiffPy macro files.
+- `agentify`: A deployer for diffpy.cmi agentic skills.
 
 For more information about the diffpy.apps library, please consult our `online documentation <https://diffpy.github.io/diffpy.apps>`_.
 

docs/source/getting-started.rst

@@ -13,6 +13,7 @@ diffpy packages. This page contains the instructions for all applications
 available, including:
 
 - :ref:`runmacro`
+- :ref:`agentify`
 
 .. _runmacro:
 
@@ -149,3 +150,33 @@ starting point for the refinement.
     constraint. e.g. Here, lattice parameter ``a=b=c``,
     and ``Usio_0=Uiso_i, i=1,2,3``, ``a`` and ``Uiso_0`` are used as the
     reference variables.
+
+.. _agentify:
+Use ``agentify`` to deploy agent skills ``diffpy.cmi``
+------------------------------------------------------
+
+The ``agentify`` application allows users to deploy agentic skills in the
+local environment. To use this application, run:
+
+.. code-block:: bash
+
+    diffpy.app agentify
+
+``claude`` and ``codex`` agent skills are supported, and ``claude`` is used
+by default. To specify the agent skill, use the ``--agent`` option:
+
+.. code-block:: bash
+
+    diffpy.app agentify --agent codex
+
+To deploy the agentic skill to the system directory, use the ``--system`` flag:
+
+.. code-block:: bash
+
+    diffpy.app agentify --system
+
+To update the existing ``diffpy.cmi`` agentic skill, use the ``--update`` flag:
+
+.. code-block:: bash
+
+    diffpy.app agentify --update

news/agentify.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* Add "agentify" app to deploy ``diffpy.cmi`` agent skills.
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

src/diffpy/apps/app_agentify.py

@@ -0,0 +1,35 @@
+import shutil
+import subprocess
+import tempfile
+from pathlib import Path
+
+REPO_URL = "https://github.com/diffpy/cmi-agent-skills"
+DIR_NAME = "cmi-skill"
+
+
+def agentify(args):
+    agent = args.agent
+    system_flag = args.system
+    if agent == "claude":
+        skills_dir = ".claude/skills"
+    elif agent == "codex":
+        skills_dir = ".codex/skills"
+    if system_flag:
+        destination = Path().home() / skills_dir / DIR_NAME
+    else:
+        destination = Path().cwd() / skills_dir / DIR_NAME
+    if destination.exists() and not args.update:
+        raise FileExistsError(
+            f"Agentic skill {DIR_NAME} already exists at {destination}. "
+            "To overwrite, pass '--update' flag to update the skill"
+        )
+    with tempfile.TemporaryDirectory() as tmp:
+        tmp_path = Path(tmp)
+        subprocess.run(
+            ["git", "clone", REPO_URL, str(tmp_path)],
+            check=True,
+        )
+        if destination.exists():
+            shutil.rmtree(destination)
+        shutil.copytree(tmp_path / DIR_NAME, destination, dirs_exist_ok=True)
+    print(f"Agentic skill {DIR_NAME} has been deployed to {destination}")

src/diffpy/apps/apps.py

@@ -1,5 +1,6 @@
 import argparse
 
+from diffpy.apps.app_agentify import agentify
 from diffpy.apps.app_runmacro import runmacro
 from diffpy.apps.version import __version__  # noqa
 
@@ -36,6 +37,7 @@ def main():
         title="Available applications",
         dest="application",
     )
+    # runmacro application
     runmacro_parser = apps_parsers.add_parser(
         "runmacro",
         help="Run a macro `<.dp-in>` file",
@@ -46,6 +48,28 @@ def main():
         help="Path to the  `<.dp-in>` macro file to be run",
     )
     runmacro_parser.set_defaults(func=runmacro)
+    # agentify application
+    agentify_parser = apps_parsers.add_parser(
+        "agentify",
+        help="Deploy diffpy.cmi agentic skills in the local environment.",
+    )
+    agentify_parser.add_argument(
+        "--agent",
+        help="The agent to use for the agentic skill.",
+        default="claude",
+        choices=["claude", "codex"],
+    )
+    agentify_parser.add_argument(
+        "--update",
+        action="store_true",
+        help="When set, update the existing agentic skill.",
+    )
+    agentify_parser.add_argument(
+        "--system",
+        action="store_true",
+        help="When set, deploy the agentic skill to the system directory.",
+    )
+    agentify_parser.set_defaults(func=agentify)
     args = parser.parse_args()
     if args.application is None:
         parser.print_help()

tests/test_agentify.py

@@ -0,0 +1,110 @@
+import re
+import tempfile
+from pathlib import Path
+from types import SimpleNamespace
+from unittest import mock
+
+import pytest
+
+from diffpy.apps.app_agentify import agentify
+
+
+@pytest.mark.parametrize(
+    "args, expected_scope, expected_skill_dir",
+    [
+        # C1: diffpy.apps agentify
+        #   Deploys workspace claude skill.
+        #   Expect skill folder is created in the current working directory.
+        (
+            SimpleNamespace(
+                agent="claude",
+                system=False,
+                update=False,
+            ),
+            "cwd",
+            ".claude/skills/cmi-skill",
+        ),
+        # C2: diffpy.apps agentify --system
+        #   Deploys system claude skill.
+        #   Expect skill folder is created in the user's home directory.
+        (
+            SimpleNamespace(
+                agent="claude",
+                system=True,
+                update=False,
+            ),
+            "home",
+            ".claude/skills/cmi-skill",
+        ),
+        # C3: diffpy.apps agentify --agent codex
+        #   Deploys workspace codex skill.
+        #   Expect skill folder is created in the current working directory.
+        (
+            SimpleNamespace(
+                agent="codex",
+                system=False,
+                update=False,
+            ),
+            "cwd",
+            ".codex/skills/cmi-skill",
+        ),
+        # C4: diffpy.apps agentify --agent codex --system
+        #   Deploys system codex skill.
+        #   Expect skill folder is created in the user's home directory.
+        (
+            SimpleNamespace(
+                agent="codex",
+                system=True,
+                update=False,
+            ),
+            "home",
+            ".codex/skills/cmi-skill",
+        ),
+    ],
+)
+def test_agentify(args, expected_scope, expected_skill_dir):
+    with tempfile.TemporaryDirectory() as tmp:
+        with (
+            mock.patch.object(Path, "home", return_value=Path(tmp) / "home"),
+            mock.patch.object(Path, "cwd", return_value=Path(tmp) / "cwd"),
+        ):
+            agentify(args)
+            expected_path = Path(tmp) / expected_scope / expected_skill_dir
+            assert expected_path.exists()
+
+
+def test_agentify_update():
+    with tempfile.TemporaryDirectory() as tmp:
+        with (
+            mock.patch.object(Path, "home", return_value=Path(tmp) / "home"),
+            mock.patch.object(Path, "cwd", return_value=Path(tmp) / "cwd"),
+        ):
+            # C1: Deploy again without --update flag when skill already exists.
+            #  Expect FileExistsError to be raised, and the error message
+            #  matches.
+            args = SimpleNamespace(
+                agent="claude",
+                system=False,
+                update=False,
+            )
+            agentify(args)
+            skill_path = Path(tmp) / "cwd" / ".claude" / "skills" / "cmi-skill"
+            assert skill_path.exists()
+            args.update = True
+            agentify(args)
+            pytest.raises(
+                FileExistsError,
+                match=re.escape(
+                    f"Agentic skill cmi-skill already exists at {skill_path}. "
+                    "To overwrite, pass '--update' flag to update the skill"
+                ),
+            )
+            # C2: Deploy again with --update flag when skill already exists
+            #  with a dummy file in the skill directory.
+            #  Expect no error to be raised, and the skill is updated.
+            dummy_file = skill_path / "dummy.txt"
+            dummy_file.touch()
+            assert dummy_file.exists()
+            args.update = True
+            agentify(args)
+            assert not dummy_file.exists()