diff --git a/database.json b/database.json index c3cf29a..23c9460 100644 --- a/database.json +++ b/database.json @@ -294,6 +294,26 @@ "filepath_executable": "/apps/daint/SSL/simonpi/spack-views/q-e-sirius-nlcg/.spack-env/view/bin/pw.x", "prepend_text": "module load daint-gpu", "append_text": " " + }, + "ppafm": { + "label": "{{ code_name }}", + "description": "PPAFM code https://github.com/Probe-Particle/ppafm.git", + "default_calc_job_plugin": "nanotech_empa.afm", + "filepath_executable": "/users/cpi/aiida-soft/run_{{ code_name }}.sh", + "prepend_text": "export PATH=\"/users/cpi/miniconda3/bin:$PATH\"\neval \"$(conda shell.posix hook)\"\neconda activate /users/cpi/miniconda3/envs/env-{{ code_name }}\n", + "append_text": "", + "metadata": { + "template_variables": { + "code_name": { + "type": "list", + "key_display": "Code name", + "options": [ + "ppafm", + "2ppafm" + ] + } + } + } } } },