Add kurucz test

Author: lukeshingles

.github/workflows/test.yml

@@ -74,6 +74,7 @@ jobs:
         runs-on: ubuntu-24.04
         env:
             UV_FROZEN: 1
+            ARTISATOMIC_TESTMODE: 1
         steps:
             - name: Checkout Code
               uses: actions/checkout@v4
@@ -108,11 +109,12 @@ jobs:
     tests:
         strategy:
             matrix:
-                testname: [cmfgen, floers25, jplt, qub]
+                testname: [cmfgen, floers25, jplt, kurucz, qub]
             fail-fast: false
         runs-on: ubuntu-24.04
         env:
             UV_FROZEN: 1
+            ARTISATOMIC_TESTMODE: 1
         timeout-minutes: 45
         name: test ${{ matrix.testname }}
 

artisatomic/readkuruczdata.py

@@ -1,3 +1,4 @@
+import os
 from collections import defaultdict
 from collections import namedtuple
 from pathlib import Path
@@ -7,21 +8,28 @@
 hc_in_ev_cm = 0.0001239841984332003
 
 kuruczdatapath = Path(__file__).parent.absolute() / ".." / "atomic-data-kurucz"
+if os.environ.get("ARTISATOMIC_TESTMODE") == "1":
+    kuruczdatapath = kuruczdatapath / "test_sample"
 
 
 def find_gfall(atomic_number: int, ion_charge: int) -> Path:
-    path_gfall = (kuruczdatapath / "extendedatoms" / f"gf{atomic_number:02d}{ion_charge:02d}.lines").resolve()
-
-    if not path_gfall.is_file():
-        path_gfall = (kuruczdatapath / "extendedatoms" / f"gf{atomic_number:02d}{ion_charge:02d}z.lines").resolve()
-
-    if not path_gfall.is_file():
-        path_gfall = (kuruczdatapath / "zztar" / f"gf{atomic_number:02d}{ion_charge:02d}.all").resolve()
-
-    if not path_gfall.is_file():
-        raise FileNotFoundError(f"No Kurucz file for Z={atomic_number} ion_charge {ion_charge}")
-
-    return path_gfall
+    extended_atoms_filenames = [
+        f"gf{atomic_number:02d}{ion_charge:02d}.lines.zst",
+        f"gf{atomic_number:02d}{ion_charge:02d}.lines",
+        f"gf{atomic_number:02d}{ion_charge:02d}z.lines.zst",
+        f"gf{atomic_number:02d}{ion_charge:02d}z.lines",
+    ]
+    for filename in extended_atoms_filenames:
+        path_gfall = (kuruczdatapath / "extendedatoms" / filename).resolve()
+        if path_gfall.is_file():
+            return path_gfall
+    zztar_filenames = [f"gf{atomic_number:02d}{ion_charge:02d}.all", f"gf{atomic_number:02d}{ion_charge:02d}.all.zst"]
+    for filename in zztar_filenames:
+        path_gfall = (kuruczdatapath / "zztar" / filename).resolve()
+        if path_gfall.is_file():
+            return path_gfall
+
+    raise FileNotFoundError(f"No Kurucz file for Z={atomic_number} ion_charge {ion_charge}.")
 
 
 def get_levelname(row) -> str:

atomic-data-kurucz/.gitignore

@@ -1,4 +1,2 @@
-gfall*
-*.lines
-*.all
-creationdates.dat
+extendedatoms/*.lines
+zztar/*.all

atomic-data-kurucz/test_sample/extendedatoms/gf3801.lines.zst

@@ -27,6 +27,7 @@ dynamic = ["version"]
 readme = { file = "README.md", content-type = 'text/markdown' }
 dependencies = [
     "argcomplete>=3.5.1",
+    "carsus",
     "chiantipy>=0.15.1",
     "h5py>=3.10.0",
     "numpy>=2.2.6",
@@ -201,3 +202,6 @@ local_scheme = "no-local-version"
 
 [tool.ty.rules]
 unused-ignore-comment = "ignore"
+
+[tool.uv.sources]
+carsus = { git = "https://github.com/tardis-sn/carsus.git" }