install cp2k directly

.github/workflows/docs.yml

@@ -25,6 +25,8 @@ jobs:
           python-version: "3.10"
       - name: install dependencies
         run: |
+          sudo apt -y update
+          sudo apt -y install cp2k
           python -m pip install tox
       - name: build documentation
         run: tox -e docs

examples/cp2k_run_batch/environement.yml

@@ -1,7 +1,6 @@
 name: cp2k_run_batch
 dependencies:
-  - python=3.10
+  - python=3.11
   - pip
-  - conda-forge::cp2k
   - pip:
     - ase

tox.ini

@@ -70,8 +70,6 @@ commands =
     {[testenv]generate_gallery}
 
 [testenv:cp2k_run_batch]
-; setenv =
-;     PATH={envdir}/conda/bin:{env:PATH}
 commands =
     {[testenv]install_conda_env}
     {[testenv]generate_gallery}