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PicoCentauri committed Mar 5, 2024
1 parent 46a236d commit 15ab8c4
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3 changes: 1 addition & 2 deletions examples/cp2k_run_batch/environement.yml
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Expand Up @@ -2,7 +2,6 @@ name: cp2k_run_batch
dependencies:
- python=3.10
- pip
- conda-forge::libopenblas
- conda-forge::cp2k
#- conda-forge::cp2k
- pip:
- ase
2 changes: 2 additions & 0 deletions tox.ini
Original file line number Diff line number Diff line change
Expand Up @@ -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}
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