calkit-python 0.16.2__tar.gz → 0.16.3__tar.gz

{calkit_python-0.16.2 → calkit_python-0.16.3}/.gitignore

@@ -4,3 +4,4 @@ dev.ipynb
 .vscode
 site
 .env
+.venv

{calkit_python-0.16.2 → calkit_python-0.16.3}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: calkit-python
-Version: 0.16.2
+Version: 0.16.3
 Summary: Reproducibility simplified.
 Project-URL: Homepage, https://calkit.org
 Project-URL: Issues, https://github.com/calkit/calkit/issues
@@ -12,6 +12,7 @@ Classifier: Operating System :: OS Independent
 Classifier: Programming Language :: Python :: 3
 Requires-Python: >=3.8
 Requires-Dist: arithmeval
+Requires-Dist: checksumdir
 Requires-Dist: docx2pdf
 Requires-Dist: dvc
 Requires-Dist: eval-type-backport; python_version < '3.10'

{calkit_python-0.16.2 → calkit_python-0.16.3}/calkit/__init__.py

@@ -1,4 +1,4 @@
-__version__ = "0.16.2"
+__version__ = "0.16.3"
 
 from .core import *
 from . import git

{calkit_python-0.16.2 → calkit_python-0.16.3}/calkit/cli/check.py

@@ -9,6 +9,7 @@ import os
 import subprocess
 from typing import Annotated
 
+import checksumdir
 import typer
 
 import calkit
@@ -65,6 +66,14 @@ def check_docker_env(
     platform: Annotated[
         str, typer.Option("--platform", help="Which platform(s) to build for.")
     ] = None,
+    deps: Annotated[
+        list[str],
+        typer.Option(
+            "--dep",
+            "-d",
+            help="Declare an explicit dependency for this Docker image.",
+        ),
+    ] = [],
     quiet: Annotated[
         bool, typer.Option("--quiet", "-q", help="Be quiet.")
     ] = False,
@@ -81,6 +90,14 @@ def check_docker_env(
         _ = out[0].pop("DockerVersion")
         return out
 
+    def get_md5(path: str, exclude_files: list[str] | None = None) -> str:
+        if os.path.isdir(path):
+            return checksumdir.dirhash(dep, excluded_files=exclude_files)
+        else:
+            with open(path) as f:
+                content = f.read()
+            return hashlib.md5(content.encode()).hexdigest()
+
     outfile = open(os.devnull, "w") if quiet else None
     typer.echo(f"Checking for existing image with tag {tag}", file=outfile)
     # First call Docker inspect
@@ -90,10 +107,12 @@ def check_docker_env(
         typer.echo(f"No image with tag {tag} found locally", file=outfile)
         inspect = []
     typer.echo(f"Reading Dockerfile from {fpath}", file=outfile)
-    with open(fpath) as f:
-        dockerfile = f.read()
-    dockerfile_md5 = hashlib.md5(dockerfile.encode()).hexdigest()
+    dockerfile_md5 = get_md5(fpath)
     lock_fpath = fpath + "-lock.json"
+    # Compute MD5s of any dependencies
+    deps_md5s = {}
+    for dep in deps:
+        deps_md5s[dep] = get_md5(dep, exclude_files=lock_fpath)
     rebuild = True
     if os.path.isfile(lock_fpath):
         typer.echo(f"Reading lock file: {lock_fpath}", file=outfile)
@@ -109,6 +128,12 @@ def check_docker_env(
         rebuild = inspect[0]["RootFS"]["Layers"] != lock[0]["RootFS"][
             "Layers"
         ] or dockerfile_md5 != lock[0].get("DockerfileMD5")
+        if not rebuild:
+            for dep, md5 in deps_md5s.items():
+                if md5 != lock[0].get("DepsMD5s", {}).get(dep):
+                    typer.echo(f"Found modified dependency: {dep}")
+                    rebuild = True
+                    break
     if rebuild:
         wdir, fname = os.path.split(fpath)
         if not wdir:
@@ -117,10 +142,11 @@ def check_docker_env(
         if platform is not None:
             cmd += ["--platform", platform]
         cmd.append(".")
-        subprocess.check_call(cmd, cwd=wdir)
+        subprocess.check_output(cmd, cwd=wdir)
     # Write the lock file
     inspect = get_docker_inspect()
     inspect[0]["DockerfileMD5"] = dockerfile_md5
+    inspect[0]["DepsMD5s"] = deps_md5s
     with open(lock_fpath, "w") as f:
         json.dump(inspect, f, indent=4)
 

{calkit_python-0.16.2 → calkit_python-0.16.3}/calkit/cli/main.py

@@ -57,7 +57,8 @@ def _to_shell_cmd(cmd: list[str]) -> str:
     """
     quoted_cmd = []
     for part in cmd:
-        if " " in part or '"' in part or "'" in part:
+        # Find quotes within quotes and escape them
+        if " " in part or '"' in part[1:-1] or "'" in part[1:-1]:
             part = part.replace('"', r"\"")
             quoted_cmd.append(f'"{part}"')
         else:
@@ -708,12 +709,11 @@ def run_in_env(
     if env_name not in envs:
         raise_error(f"Environment '{env_name}' does not exist")
     env = envs[env_name]
-    if wdir is not None:
-        cwd = os.path.abspath(wdir)
-    else:
-        cwd = os.getcwd()
     image_name = env.get("image", env_name)
     docker_wdir = env.get("wdir", "/work")
+    docker_wdir_mount = docker_wdir
+    if wdir is not None:
+        docker_wdir = os.path.join(docker_wdir, wdir)
     shell = env.get("shell", "sh")
     platform = env.get("platform")
     if env["kind"] == "docker":
@@ -724,6 +724,7 @@ def run_in_env(
                 tag=env["image"],
                 fpath=env["path"],
                 platform=env.get("platform"),
+                deps=env.get("deps", []),
                 quiet=True,
             )
         shell_cmd = _to_shell_cmd(cmd)
@@ -733,13 +734,14 @@ def run_in_env(
         ]
         if platform:
             docker_cmd += ["--platform", platform]
+        docker_cmd += env.get("args", [])
         docker_cmd += [
             "-it" if sys.stdin.isatty() else "-i",
             "--rm",
             "-w",
             docker_wdir,
             "-v",
-            f"{cwd}:{docker_wdir}",
+            f"{os.getcwd()}:{docker_wdir_mount}",
             image_name,
             shell,
             "-c",

{calkit_python-0.16.2 → calkit_python-0.16.3}/calkit/conda.py

@@ -4,9 +4,10 @@ import json
 import os
 import re
 import subprocess
+import warnings
 
 from packaging.specifiers import SpecifierSet
-from packaging.version import Version
+from packaging.version import InvalidVersion, Version
 from pydantic import BaseModel
 
 import calkit
@@ -20,14 +21,22 @@ def _check_single(req: str, actual: str, conda: bool = False) -> bool:
     if conda and req_spec.startswith("="):
         req_spec = "=" + req_spec
         if not req_spec.endswith(".*"):
-            req_spec += ".*"
+            if len(req_spec.split(".")) < 3:
+                req_spec += ".*"
     actual_name, actual_vers = re.split("[=<>]+", actual, maxsplit=1)
     if actual_name != req_name:
         return False
     actual_spec = actual.removeprefix(actual_name)
     if conda and actual_spec.startswith("="):
         actual_spec = "=" + actual_spec
-    version = Version(actual_vers)
+    try:
+        version = Version(actual_vers)
+    except InvalidVersion:
+        warnings.warn(
+            f"Cannot properly check {actual_name} version {actual_vers}"
+        )
+        # TODO: Check exact version only
+        return True
     spec = SpecifierSet(req_spec)
     return spec.contains(version)
 

{calkit_python-0.16.2 → calkit_python-0.16.3}/calkit/tests/cli/test_main.py

@@ -85,6 +85,26 @@ def test_run_in_env(tmp_dir):
     ck_info = calkit.load_calkit_info()
     env = ck_info["environments"]["py3.10"]
     assert env.get("path") is None
+    # Test that we can run a command that changes directory first
+    os.makedirs("my-new-dir/another", exist_ok=True)
+    out = (
+        subprocess.check_output(
+            "calkit xenv -n py3.10 --wdir my-new-dir -- ls",
+            shell=True,
+        )
+        .decode()
+        .strip()
+    )
+    assert out == "another"
+    out = (
+        subprocess.check_output(
+            "calkit xenv -n py3.10 --wdir my-new-dir -- ls ..",
+            shell=True,
+        )
+        .decode()
+        .strip()
+    )
+    assert "my-new-dir" in out.split("\n")
 
 
 def test_run_in_venv(tmp_dir):
@@ -206,6 +226,13 @@ def test_to_shell_cmd():
     shell_cmd = _to_shell_cmd(cmd)
     assert shell_cmd == 'python -c "print(\\"hello world\\")"'
     subprocess.check_call(shell_cmd, shell=True)
+    cmd = [
+        "sh",
+        "-c",
+        "cd dir1 && ls",
+    ]
+    good_shell_cmd = 'sh -c "cd dir1 && ls"'
+    assert _to_shell_cmd(cmd) == good_shell_cmd
 
 
 def test_add(tmp_dir):

{calkit_python-0.16.2 → calkit_python-0.16.3}/docs/environments.md

@@ -154,6 +154,21 @@ and another call to `calkit xenv -n foam2` will kick off a rebuild
 automatically,
 since the lock file will no longer match the Dockerfile.
 
+If you're copying local files into the Docker image,
+you can declare these
+dependencies in the environment definition so the content of those will be
+tracked as well:
+
+```yaml
+# In calkit.yaml
+environments:
+  foam2:
+    kind: docker
+    image: foam2
+    deps:
+      - src/mySolver.C
+```
+
 This highlights Calkit's declarative design philosophy.
 Simply declare the environment and use it in a pipeline stage
 and Calkit will ensure it is built and up to date.

{calkit_python-0.16.2 → calkit_python-0.16.3}/pyproject.toml

@@ -13,6 +13,7 @@ classifiers = [
 ]
 dependencies = [
   "arithmeval",
+  "checksumdir",
   "docx2pdf",
   "dvc",
   "eval-type-backport; python_version < '3.10'",