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Add scanning probe microscopy codes to daint (#82)
Co-authored-by: Aliaksandr Yakutovich <[email protected]>
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daint.cscs.ch/codes/2ppafm.yaml

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---
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label: 2ppafm
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description: 2-point PPAFM code https://github.com/Probe-Particle/ppafm.git.
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input_plugin: nanotech_empa.afm
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on_computer: true
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remote_abs_path: /users/cpi/aiida-soft/2pp/run_2pp.sh
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prepend_text: |
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export PATH="/users/cpi/miniconda3/bin:$PATH"
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eval "$(conda shell.posix hook)"
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conda activate /users/cpi/miniconda3/envs/env-2ppafm
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append_text: ' '

daint.cscs.ch/codes/hrstm.yaml

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---
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label: hrstm
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description: HRSTM code from https://github.com/nanotech-empa/cp2k-spm-tools.git
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input_plugin: nanotech_empa.hrstm
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on_computer: true
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remote_abs_path: /users/cpi/aiida-soft/cp2k-spm-tools/hrstm_from_wfn.py
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prepend_text: |
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export PATH="/users/cpi/miniconda3/bin:$PATH"
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eval "$(conda shell.posix hook)"
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conda activate /users/cpi/miniconda3/envs/env-stm
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append_text: ' '

daint.cscs.ch/codes/overlap.yaml

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---
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label: overlap
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description: Overlap code from https://github.com/nanotech-empa/cp2k-spm-tools.git.
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input_plugin: nanotech_empa.overlap
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on_computer: true
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remote_abs_path: /users/cpi/aiida-soft/cp2k-spm-tools/overlap_from_wfns.py
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prepend_text: |
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export PATH="/users/cpi/miniconda3/bin:$PATH"
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eval "$(conda shell.posix hook)"
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conda activate /users/cpi/miniconda3/envs/env-stm
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append_text: ' '

daint.cscs.ch/codes/ppafm.yaml

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---
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label: ppafm
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description: PPAFM code https://github.com/Probe-Particle/ppafm.git.
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input_plugin: nanotech_empa.afm
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on_computer: true
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remote_abs_path: /users/cpi/aiida-soft/run_ppafm.sh
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prepend_text: |
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export PATH="/users/cpi/miniconda3/bin:$PATH"
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eval "$(conda shell.posix hook)"
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conda activate /users/cpi/miniconda3/envs/env-ppafm
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append_text: ' '

daint.cscs.ch/codes/stm.yaml

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---
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label: stm
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description: STM from https://github.com/nanotech-empa/cp2k-spm-tools.git.
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input_plugin: nanotech_empa.stm
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on_computer: true
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remote_abs_path: /users/cpi/aiida-soft/cp2k-spm-tools/stm_sts_from_wfn.py
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prepend_text: |
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export PATH="/users/cpi/miniconda3/bin:$PATH"
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eval "$(conda shell.posix hook)"
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conda activate /users/cpi/miniconda3/envs/env-stm
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append_text: ' '

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