diff --git a/examples/cp2k_run_batch/environement.yml b/examples/cp2k_run_batch/environement.yml index b353c81c..cc2f6380 100644 --- a/examples/cp2k_run_batch/environement.yml +++ b/examples/cp2k_run_batch/environement.yml @@ -2,7 +2,6 @@ name: cp2k_run_batch dependencies: - python=3.10 - pip - - conda-forge::libopenblas - - conda-forge::cp2k + #- conda-forge::cp2k - pip: - ase diff --git a/tox.ini b/tox.ini index 805ddaba..b054275e 100644 --- a/tox.ini +++ b/tox.ini @@ -68,6 +68,8 @@ commands = {[testenv]generate_gallery} [testenv:cp2k_run_batch] +setenv = + PATH={envdir}/conda/bin commands = {[testenv]install_conda_env} {[testenv]generate_gallery}