Fix tox command and version

dftd4 · Nov 26, 2023 · 9275331 · 9275331
1 parent 346af9a
commit 9275331
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Showing 3 changed files with 7 additions and 33 deletions.
diff --git a/src/tad_dftd4/charges.py b/src/tad_dftd4/charges.py
@@ -93,8 +93,6 @@ def __init__(
         self.eta = eta
         self.rad = rad
 
-        print(self.device)
-        print(self.chi.device)
         if any(
             tensor.device != self.device
             for tensor in (self.chi, self.kcn, self.eta, self.rad)

diff --git a/test/conftest.py b/test/conftest.py
@@ -18,6 +18,7 @@
 """
 Setup for pytest.
 """
+from __future__ import annotations
 
 import pytest
 import torch

diff --git a/tox.ini b/tox.ini
@@ -20,38 +20,13 @@ envlist = py{38,39,310,311}
 
 [testenv]
 deps = .[tox]
+commands =
+    pytest -vv -n logical {posargs:--random-order-bucket=global test}
+
+# do not run in parallel to collect coverage data
+[testenv:py311]
 commands =
     coverage erase
-    coverage run -m pytest -n logical -vv {posargs:-m "not large" test}
+    coverage run -m pytest -vv {posargs:-m "not large" --random-order-bucket=global test}
     coverage report -m
     coverage xml -o coverage.xml
-
-
-# [tox]
-# envlist = py310-torch{1110,1121,1130}
-
-
-# [testenv]
-# deps =
-#     covdefaults
-#     coverage
-#     pytest
-# commands =
-#     coverage erase
-#     coverage run -m pytest -svv {posargs:test}
-#     coverage report -m
-#     coverage xml -o coverage.xm
-
-# [testenv:py310-torch1110]
-# deps =
-#     {[testenv]deps}
-# commands =
-#     pip install torch==1.11.0+cpu -f https://download.pytorch.org/whl/torch_stable.html
-#     {[testenv]commands}
-
-# [testenv:py310-torch1121]
-# deps =
-#     {[testenv]deps}
-# commands =
-#     pip install torch==1.12.1+cpu -f https://download.pytorch.org/whl/torch_stable.html
-#     {[testenv]commands}