Fix tasks.py.

Author: shyuep

pymatgen/analysis/diffusion/__init__.py

@@ -2,6 +2,13 @@
 
 from __future__ import annotations
 
+from importlib.metadata import PackageNotFoundError, version
+
 __author__ = "Materials Virtual Lab"
 __email__ = "[email protected]"
-__version__ = "2023.8.15"
+
+try:
+    __version__ = version("pymatgen")
+except PackageNotFoundError:  # pragma: no cover
+    # package is not installed
+    pass

tasks.py

@@ -26,7 +26,9 @@
 def make_doc(ctx):
     with cd("docs_rst"):
         ctx.run("cp ../CHANGES.rst change_log.rst")
-        ctx.run("sphinx-apidoc --implicit-namespaces --separate -d 7 -o . -f ../pymatgen")
+        ctx.run(
+            "sphinx-apidoc --implicit-namespaces --separate -d 7 -o . -f ../pymatgen"
+        )
         ctx.run("rm pymatgen*.tests.rst")
         for f in glob.glob("*.rst"):
             if f.startswith("pymatgen") and f.endswith("rst"):
@@ -43,7 +45,9 @@ def make_doc(ctx):
                         else:
                             if not clean.endswith("tests"):
                                 suboutput.append(line)
-                            if clean.startswith("pymatgen") and not clean.endswith("tests"):
+                            if clean.startswith("pymatgen") and not clean.endswith(
+                                "tests"
+                            ):
                                 newoutput.extend(suboutput)
                                 subpackage = False
                                 suboutput = []
@@ -61,24 +65,15 @@ def make_doc(ctx):
 
 @task
 def set_ver(ctx):
-    lines = []
-    with open("pymatgen/analysis/diffusion/__init__.py") as f:
-        for l in f:
-            if "__version__" in l:
-                lines.append('__version__ = "%s"' % NEW_VER)
-            else:
-                lines.append(l.rstrip())
-    with open("pymatgen/analysis/diffusion/__init__.py", "w") as f:
-        f.write("\n".join(lines))
 
     lines = []
-    with open("setup.py") as f:
+    with open("pyproject.toml") as f:
         for l in f:
-            lines.append(re.sub(r"version=([^,]+),", 'version="%s",' % NEW_VER, l.rstrip()))
-    with open("setup.py", "w") as f:
+            lines.append(
+                re.sub(r"^version = ([^,]+)", f'version = "{NEW_VER}"', l.rstrip())
+            )
+    with open("pyproject.toml", "w") as f:
         f.write("\n".join(lines))
-    ctx.run("ruff format pymatgen")
-    ctx.run("ruff format setup.py")
 
 
 @task