From ada2cafc066c7cea1fa69790d48846b48d12e06c Mon Sep 17 00:00:00 2001 From: Adam Fekete <adam@fekete.co.uk> Date: Tue, 20 Aug 2024 12:42:26 +0000 Subject: [PATCH] Resolve "Improvents in NORTH page and some tools" --- gui/public/logo/abtem.png | Bin 0 -> 11250 bytes gui/public/logo/fiji.png | Bin 0 -> 40666 bytes .../{jupyter_logo.svg => logo/jupyter.svg} | 0 gui/public/logo/nexus.png | Bin 0 -> 3674 bytes gui/public/logo/nionswift.png | Bin 0 -> 20753 bytes gui/public/logo/pyarpes.svg | 2 + .../{pyiron_logo.png => logo/pyiron.png} | Bin gui/public/logo/vesta.png | Bin 0 -> 54869 bytes gui/tests/artifacts.js | 276 ++++++++--------- nomad/app/v1/routers/north.py | 7 +- nomad/config/defaults.yaml | 278 ++++++++++-------- nomad/config/models/north.py | 9 +- nomad/jupyterhub_config.py | 4 + ops/kubernetes/nomad/updatevalues.py | 6 +- ops/kubernetes/nomad/values.yaml | 54 ++-- 15 files changed, 339 insertions(+), 297 deletions(-) create mode 100644 gui/public/logo/abtem.png create mode 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z!Heg=tKaP>ed#eMR_Cv3Y%hM2zcv2RY5uPzb<Xb{9o7aPsg1bf?!u|l^hLtau%L5h z{gxKN>}tdL()CxfoK<eHGBr9V2yn2VQxE1p@=sP1u#%m4{VoFo1B0ilpUXO@geCx= CK2$gW literal 0 HcmV?d00001 diff --git a/gui/tests/artifacts.js b/gui/tests/artifacts.js index 58f5ed1ee1..ff3ceab485 100644 --- a/gui/tests/artifacts.js +++ b/gui/tests/artifacts.js @@ -65259,18 +65259,19 @@ window.nomadArtifacts = { "northTools": { "jupyter": { "short_description": "Basic jupyter run with an empty notebook or on given notebook file.", - "description": "### **Jupyter Notebook**: The Classic Notebook Interface\n\nThe Jupyter Notebook is the original web application for creating and sharing computational documents. It offers a simple, streamlined, document-centric experience.", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/jupyter:latest", + "description": "### **Jupyter Notebook**: The Classic Notebook Interface\nThe Jupyter Notebook is the original web application for creating and sharing computational documents. It offers a simple, streamlined, document-centric experience.", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/jupyter:refactor", "cmd": null, "image_pull_policy": "Always", "privileged": false, + "default_url": "/lab", "path_prefix": "lab/tree", "with_path": true, "file_extensions": [ "ipynb" ], "mount_path": "/home/jovyan", - "icon": "jupyter_logo.svg", + "icon": "logo/jupyter.svg", "maintainer": [ { "name": "Markus Scheidgen", @@ -65281,18 +65282,19 @@ window.nomadArtifacts = { }, "pyiron": { "short_description": "Jupyterlab with pyiron installed.", - "description": "## Pyiron: Complex workflows made easy\n\nFrom rapid prototyping to high performance computing in material science. [Homepage](https://pyiron.org/).", + "description": "### **Pyiron**: Complex workflows made easy\nFrom rapid prototyping to high performance computing in materials science. [Homepage](https://pyiron.org/).", "image": "pyiron/pyiron:latest", "cmd": null, "image_pull_policy": "Always", "privileged": false, + "default_url": "/lab", "path_prefix": "lab/tree", "with_path": true, "file_extensions": [ "ipynb" ], "mount_path": "/home/jovyan", - "icon": "pyiron_logo.png", + "icon": "logo/pyiron.png", "maintainer": [ { "name": "Markus Scheidgen", @@ -65302,17 +65304,26 @@ window.nomadArtifacts = { "external_mounts": [] }, "nionswift": { - "short_description": "Run NionSwift to analyze data as well as prepare focus series reconstructions", - "description": "Run Nion Swift to analyze data.", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/nionswift-webtop", + "short_description": "Run Nion Swift to analyze data as well as prepare focus series reconstructions in NOMAD.", + "description": "### **Nion Swift**:\nNion Swift is a software package for electron microscopy data analysis and visualization. It is designed to be easy to use and to provide a high degree of interactivity. [Homepage](https://nionswift.readthedocs.io/en/stable/).", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/nionswift:refactor", "cmd": null, "image_pull_policy": "Always", - "privileged": true, + "privileged": false, + "default_url": "/desktop", "path_prefix": null, "with_path": false, - "file_extensions": [], - "mount_path": "/config", - "icon": null, + "file_extensions": [ + "tiff", + "tif", + "dm3", + "dm4", + "hdf5", + "h5", + "nion" + ], + "mount_path": "/home/jovyan", + "icon": "logo/nionswift.png", "maintainer": [ { "name": "Sherjeel Shabih", @@ -65322,14 +65333,15 @@ window.nomadArtifacts = { "external_mounts": [] }, "nexustools": { - "short_description": null, - "description": "Includes multiple NeXus tools for visualization and analysis.", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/nexus-webtop", + "short_description": "Analyse your NeXus files in NOMAD with several NeXus-compatible tools.", + "description": "### **NeXus**:\nIncludes multiple NeXus tools for visualization and analysis.", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/nexus:weptop-replacement", "cmd": null, "image_pull_policy": "Always", - "privileged": true, + "privileged": false, + "default_url": "/lab", "path_prefix": null, - "with_path": false, + "with_path": true, "file_extensions": [ "nxs", "nx", @@ -65340,8 +65352,8 @@ window.nomadArtifacts = { "hdf", "ipynb" ], - "mount_path": "/config", - "icon": null, + "mount_path": "/home/jovyan", + "icon": "logo/nexus.png", "maintainer": [ { "name": "Sandor Brockhauser", @@ -65350,67 +65362,133 @@ window.nomadArtifacts = { ], "external_mounts": [] }, - "ellips": { - "short_description": "An example for analyzing ellipsometric data.", - "description": "This example presents the capabilities of the NOMAD platform to store and standardize ellipsometry data. It shows the generation of a NeXus file according to the [NXellipsometry](https://manual.nexusformat.org/classes/contributed_definitions/NXellipsometry.html#nxellipsometry) application definition and a successive analysis of a SiO2 on Si Psi/Delta measurement.", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/ellips/jupyter:latest", + "fiji": { + "short_description": "Use FIJI to analyze and visualize your images in your NOMAD files.", + "description": "### **FIJI** (Fiji Is Just ImageJ): Image processing package\nIt can be used for tasks such as image editing, image analysis, and image processing. [Homepage](https://fiji.sc/).", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/fiji:weptop-replacement", "cmd": null, "image_pull_policy": "Always", "privileged": false, - "path_prefix": "lab/tree", + "default_url": "/desktop", + "path_prefix": null, "with_path": false, "file_extensions": [ - "ipynb", - "nxs" + "tif", + "tiff", + "jpeg", + "png", + "gif", + "bmp", + "avi" ], "mount_path": "/home/jovyan", - "icon": "jupyter_logo.svg", + "icon": "logo/fiji.png", "maintainer": [ { - "name": "Florian Dobener", - "email": "florian.dobener@physik.hu-berlin.de" - }, - { - "name": "Carola Emminger", - "email": "emminger.carola@physik.hu-berlin.de" + "name": "Markus K\u00fchbach", + "email": "markus.kuehbach@physik.hu-berlin.de" } ], "external_mounts": [] }, - "mpes": { - "short_description": "An example for analyzing mpes data.", - "description": "This example presents the capabilities of the NOMAD platform to store and standardize multi photoemission spectroscopy (MPES) experimental data. It contains three major examples:\n\n- Taking a pre-binned file, here stored in a h5 file, and converting it into the standardized MPES NeXus format. There exists a [NeXus application definition for MPES](https://manual.nexusformat.org/classes/contributed_definitions/NXmpes.html#nxmpes) which details the internal structure of such a file.\n- Binning of raw data (see [here](https://www.nature.com/articles/s41597-020-00769-8) for additional resources) into a h5 file and consecutively generating a NeXus file from it.\n- An analysis example using data in the NeXus format and employing the [pyARPES](https://github.com/chstan/arpes) analysis tool to reproduce the main findings of [this paper](https://arxiv.org/pdf/2107.07158.pdf).", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/mpes/webtop", + "vesta": { + "short_description": "Run VESTA to analyse and visualize your crystal structures in your NOMAD files.", + "description": "### **VESTA**: Visualization for Electronic and STructural Analysis\nVESTA is a software program used for visualizing and analyzing crystal structures, electron density maps, and other three-dimensional data related to materials science and crystallography. [Homepage](http://jp-minerals.org/vesta/en/).", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/abtem:refactor", "cmd": null, "image_pull_policy": "Always", - "privileged": true, + "privileged": false, + "default_url": "/desktop", "path_prefix": null, "with_path": false, + "file_extensions": [ + "vesta", + "cif", + "res", + "vasp", + "xyz", + "pdb", + "mcif", + "fsf", + "fcf", + "shelx", + "stl", + "cgo", + "wrl", + "pov", + "spf" + ], + "mount_path": "/home/jovyan", + "icon": "logo/vesta.png", + "maintainer": [ + { + "name": "Markus K\u00fchbach", + "email": "markus.kuehbach@physik.hu-berlin.de" + } + ], + "external_mounts": [] + }, + "abtem": { + "short_description": "Electronic structure supported image simulation for transmission electron microscopy.", + "description": "### **abTEM, GPAW and VESTA**:\nVESTA, GPAW, and abTEM configured in one container for simulating images and diffraction patterns in transmission electron microscopy.", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/abtem:refactor", + "cmd": null, + "image_pull_policy": "Always", + "privileged": false, + "default_url": "/lab", + "path_prefix": null, + "with_path": true, + "file_extensions": [ + "ipynb" + ], + "mount_path": "/home/jovyan", + "icon": "logo/abtem.png", + "maintainer": [ + { + "name": "Markus K\u00fchbach", + "email": "markus.kuehbach@physik.hu-berlin.de" + } + ], + "external_mounts": [] + }, + "ellips": { + "short_description": "An example for analyzing ellipsometric data.", + "description": "### **Ellipsometry**:\nThis example presents the capabilities of the NOMAD platform to store and standardize ellipsometry data. It shows the generation of a NeXus file according to the [NXellipsometry](https://manual.nexusformat.org/classes/contributed_definitions/NXellipsometry.html#nxellipsometry) application definition and a successive analysis of a SiO2 on Si Psi/Delta measurement.", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/ellips:refactor", + "cmd": null, + "image_pull_policy": "Always", + "privileged": false, + "default_url": "/lab", + "path_prefix": "lab/tree", + "with_path": true, "file_extensions": [ "ipynb", - "nxs", - "h5", - "hdf5" + "nxs" ], - "mount_path": "/config", - "icon": null, + "mount_path": "/home/jovyan", + "icon": "logo/jupyter.svg", "maintainer": [ { "name": "Florian Dobener", "email": "florian.dobener@physik.hu-berlin.de" + }, + { + "name": "Carola Emminger", + "email": "emminger.carola@physik.hu-berlin.de" } ], "external_mounts": [] }, "xps": { "short_description": "An example for analyzing XPS data.", - "description": "Includes tools for analyzing X-ray Photoelectron Spectroscopy (XPS) spectra and converting SPECS SLE files into NeXus.", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/xps/jupyter:master", + "description": "### **XPES**: X-ray Photoelectron Spectroscopy\nIncludes tools for analyzing X-ray Photoelectron Spectroscopy (XPS) spectra and converting SPECS SLE files into NeXus.", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/xps:refactor", "cmd": null, "image_pull_policy": "Always", "privileged": false, + "default_url": "/lab", "path_prefix": "lab/tree", - "with_path": false, + "with_path": true, "file_extensions": [ "ipynb", "nxs", @@ -65418,7 +65496,7 @@ window.nomadArtifacts = { "hdf5" ], "mount_path": "/home/jovyan", - "icon": "jupyter_logo.svg", + "icon": "logo/jupyter.svg", "maintainer": [ { "name": "Florian Dobener", @@ -65437,13 +65515,14 @@ window.nomadArtifacts = { }, "sts": { "short_description": "An example for analyzing SPM (STM / STS) experiment.", - "description": "This example is for two types of experiments: Scanning Tunneling Microscopy (STM) and Scanning Tunneling Spectroscopy (STS) from Scanning Probe Microscopy. It can transform the data from files generated by a the nanonis software into the NeXus application definition NXsts. The example contains data files from the two specific nanonis software versions generic 5e and generic 4.5.", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/sts-jupyter", + "description": "### **STS**: Scanning Tunneling Spectroscopy\nThis example is for two types of experiments: Scanning Tunneling Microscopy (STM) and Scanning Tunneling Spectroscopy (STS) from Scanning Probe Microscopy. It can transform the data from files generated by a the nanonis software into the NeXus application definition NXsts. The example contains data files from the two specific nanonis software versions generic 5e and generic 4.5.", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/sts:refactor", "cmd": null, "image_pull_policy": "Always", "privileged": false, + "default_url": "/lab", "path_prefix": "lab/tree", - "with_path": false, + "with_path": true, "file_extensions": [ "ipynb", "nxs", @@ -65451,7 +65530,7 @@ window.nomadArtifacts = { "hdf5" ], "mount_path": "/home/jovyan", - "icon": "jupyter_logo.svg", + "icon": "logo/jupyter.svg", "maintainer": [ { "name": "Rubel Mozumder", @@ -65460,98 +65539,21 @@ window.nomadArtifacts = { ], "external_mounts": [] }, - "webtop": { - "short_description": null, - "description": "Baseline webtop image for test", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/webtop", - "cmd": null, - "image_pull_policy": "Always", - "privileged": true, - "path_prefix": null, - "with_path": false, - "file_extensions": [], - "mount_path": "/config", - "icon": null, - "maintainer": [ - { - "name": "Sherjeel Shabih", - "email": "sherjeel.shabih@hu-berlin.de" - } - ], - "external_mounts": [] - }, "apmtools": { "short_description": "An example for analyzing atom probe data.", - "description": "Miscellaneous tools from the atom probe community:\nCurrently APTyzer, paraprobe-toolbox, and APAV", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/apmtools-webtop", - "cmd": null, - "image_pull_policy": "Always", - "privileged": true, - "path_prefix": null, - "with_path": false, - "file_extensions": [], - "mount_path": "/config", - "icon": "jupyter_logo.svg", - "maintainer": [ - { - "name": "Markus K\u00fchbach", - "email": "markus.kuehbach@physik.hu-berlin.de" - } - ], - "external_mounts": [] - }, - "fiji": { - "short_description": "ImageJ and Fiji for image processing", - "description": "ImageJ and Fiji with amongst others several electron-microscopy specific plug-ins", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/fiji-webtop", + "description": "### **APM tools**: Atom Probe Microscopy tools\nMiscellaneous tools from the atom probe community:\nCurrently APTyzer, paraprobe-toolbox, and APAV", + "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/north/apmtools:refactor", "cmd": null, "image_pull_policy": "Always", - "privileged": true, - "path_prefix": null, - "with_path": false, - "file_extensions": [], - "mount_path": "/config", - "icon": "jupyter_logo.svg", - "maintainer": [ - { - "name": "Markus K\u00fchbach", - "email": "markus.kuehbach@physik.hu-berlin.de" - } - ], - "external_mounts": [] - }, - "frwr": { - "short_description": "Inline electron holography by C. Koch", - "description": "FRWR3 in-line holography/focus series reconstruction code", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/frwr-webtop", - "cmd": null, - "image_pull_policy": "Always", - "privileged": true, + "privileged": false, + "default_url": "/lab", "path_prefix": null, - "with_path": false, - "file_extensions": [], - "mount_path": "/config", - "icon": "jupyter_logo.svg", - "maintainer": [ - { - "name": "Markus K\u00fchbach", - "email": "markus.kuehbach@physik.hu-berlin.de" - } + "with_path": true, + "file_extensions": [ + "ipynb" ], - "external_mounts": [] - }, - "abtem": { - "short_description": "Electronic structure supported image simulation for transmission electron microscopy.", - "description": "VESTA, GPAW, and abTEM configured in one container for simulating images and diffraction patterns in transmission electron microscopy", - "image": "gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/abtem-webtop", - "cmd": null, - "image_pull_policy": "Always", - "privileged": true, - "path_prefix": null, - "with_path": false, - "file_extensions": [], - "mount_path": "/config", - "icon": "jupyter_logo.svg", + "mount_path": "/home/jovyan", + "icon": "logo/jupyter.svg", "maintainer": [ { "name": "Markus K\u00fchbach", diff --git a/nomad/app/v1/routers/north.py b/nomad/app/v1/routers/north.py index 63ece466b3..8dc994e712 100644 --- a/nomad/app/v1/routers/north.py +++ b/nomad/app/v1/routers/north.py @@ -242,7 +242,12 @@ async def start_tool( user_id=user.user_id, expires_in=config.north.nomad_access_token_expiry_time ) body = { - 'tool': {'image': tool.image, 'cmd': tool.cmd, 'privileged': tool.privileged}, + 'tool': { + 'image': tool.image, + 'cmd': tool.cmd, + 'privileged': tool.privileged, + 'default_url': tool.default_url, + }, 'environment': { 'SUBFOLDER': f'{config.services.api_base_path.rstrip("/")}/north/user/{user.username}/', 'JUPYTERHUB_CLIENT_API_URL': f'{config.north_url()}/hub/api', diff --git a/nomad/config/defaults.yaml b/nomad/config/defaults.yaml index a76412e2ca..8e43a1d575 100644 --- a/nomad/config/defaults.yaml +++ b/nomad/config/defaults.yaml @@ -227,16 +227,16 @@ north: jupyter: description: '### **Jupyter Notebook**: The Classic Notebook Interface - The Jupyter Notebook is the original web application for creating and sharing computational documents. It offers a simple, streamlined, document-centric experience.' external_mounts: [] file_extensions: - ipynb - icon: jupyter_logo.svg - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/jupyter:latest + icon: logo/jupyter.svg + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/jupyter:refactor image_pull_policy: Always + default_url: /lab maintainer: - email: markus.scheidgen@physik.hu-berlin.de name: Markus Scheidgen @@ -247,17 +247,17 @@ north: file. with_path: true pyiron: - description: '## Pyiron: Complex workflows made easy - + description: '### **Pyiron**: Complex workflows made easy - From rapid prototyping to high performance computing in material science. + From rapid prototyping to high performance computing in materials science. [Homepage](https://pyiron.org/).' external_mounts: [] file_extensions: - ipynb - icon: pyiron_logo.png + icon: logo/pyiron.png image: pyiron/pyiron:latest image_pull_policy: Always + default_url: /lab maintainer: - email: markus.scheidgen@physik.hu-berlin.de name: Markus Scheidgen @@ -267,21 +267,36 @@ north: short_description: Jupyterlab with pyiron installed. with_path: true nionswift: - description: Run Nion Swift to analyze data. + description: '### **Nion Swift**: + + Nion Swift is a software package for electron microscopy data + analysis and visualization. It is designed to be easy to use and to provide + a high degree of interactivity. [Homepage](https://nionswift.readthedocs.io/en/stable/).' + icon: logo/nionswift.png external_mounts: [] - file_extensions: [] - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/nionswift-webtop + file_extensions: + - tiff + - tif + - dm3 + - dm4 + - hdf5 + - h5 + - nion + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/nionswift:refactor image_pull_policy: Always + default_url: /desktop maintainer: - email: sherjeel.shabih@hu-berlin.de name: Sherjeel Shabih - mount_path: /config - privileged: true - short_description: Run NionSwift to analyze data as well as prepare focus - series reconstructions + mount_path: /home/jovyan + privileged: false + short_description: Run Nion Swift to analyze data as well as prepare focus + series reconstructions in NOMAD. with_path: false nexustools: - description: Includes multiple NeXus tools for visualization and analysis. + description: '### **NeXus**: + + Includes multiple NeXus tools for visualization and analysis.' external_mounts: [] file_extensions: - nxs @@ -292,27 +307,113 @@ north: - h5 - hdf - ipynb - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/nexus-webtop + icon: logo/nexus.png + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/nexus:weptop-replacement image_pull_policy: Always + default_url: /lab maintainer: - email: sandor.brockhauser@physik.hu-berlin.de name: Sandor Brockhauser - mount_path: /config - privileged: true + mount_path: /home/jovyan + privileged: false + short_description: Analyse your NeXus files in NOMAD with several NeXus-compatible tools. + with_path: true + fiji: + description: '### **FIJI** (Fiji Is Just ImageJ): Image processing package + + It can be used for tasks such as image editing, image analysis, + and image processing. [Homepage](https://fiji.sc/).' + external_mounts: [] + file_extensions: + - tif + - tiff + - jpeg + - png + - gif + - bmp + - avi + icon: logo/fiji.png + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/fiji:weptop-replacement + image_pull_policy: Always + default_url: /desktop + maintainer: + - email: markus.kuehbach@physik.hu-berlin.de + name: "Markus K\xFChbach" + mount_path: /home/jovyan + privileged: false + short_description: Use FIJI to analyze and visualize your images in your NOMAD files. with_path: false + vesta: + description: '### **VESTA**: Visualization for Electronic and STructural Analysis + + VESTA is a software program used for visualizing and analyzing crystal structures, + electron density maps, and other three-dimensional data related to materials + science and crystallography. [Homepage](http://jp-minerals.org/vesta/en/).' + external_mounts: [] + file_extensions: + - vesta + - cif + - res + - vasp + - xyz + - pdb + - mcif + - fsf + - fcf + - shelx + - stl + - cgo + - wrl + - pov + - spf + icon: logo/vesta.png + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/abtem:refactor + image_pull_policy: Always + default_url: /desktop + maintainer: + - email: markus.kuehbach@physik.hu-berlin.de + name: "Markus K\xFChbach" + mount_path: /home/jovyan + privileged: false + short_description: Run VESTA to analyse and visualize your crystal structures in + your NOMAD files. + with_path: false + abtem: + description: '### **abTEM, GPAW and VESTA**: + + VESTA, GPAW, and abTEM configured in one container for simulating + images and diffraction patterns in transmission electron microscopy.' + external_mounts: [] + file_extensions: + - ipynb + icon: logo/abtem.png + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/abtem:refactor + image_pull_policy: Always + default_url: /lab + maintainer: + - email: markus.kuehbach@physik.hu-berlin.de + name: "Markus K\xFChbach" + mount_path: /home/jovyan + privileged: false + short_description: Electronic structure supported image simulation for transmission + electron microscopy. + with_path: true ellips: - description: This example presents the capabilities of the NOMAD platform + description: '### **Ellipsometry**: + + This example presents the capabilities of the NOMAD platform to store and standardize ellipsometry data. It shows the generation of a NeXus file according to the [NXellipsometry](https://manual.nexusformat.org/classes/contributed_definitions/NXellipsometry.html#nxellipsometry) application definition and a successive analysis of a SiO2 on Si Psi/Delta - measurement. + measurement.' external_mounts: [] file_extensions: - ipynb - nxs - icon: jupyter_logo.svg - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/ellips/jupyter:latest + icon: logo/jupyter.svg + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/ellips:refactor image_pull_policy: Always + default_url: /lab maintainer: - email: florian.dobener@physik.hu-berlin.de name: Florian Dobener @@ -322,50 +423,21 @@ north: path_prefix: lab/tree privileged: false short_description: An example for analyzing ellipsometric data. - with_path: false - mpes: - description: 'This example presents the capabilities of the NOMAD platform - to store and standardize multi photoemission spectroscopy (MPES) experimental - data. It contains three major examples: - - - - Taking a pre-binned file, here stored in a h5 file, and converting it - into the standardized MPES NeXus format. There exists a [NeXus application - definition for MPES](https://manual.nexusformat.org/classes/contributed_definitions/NXmpes.html#nxmpes) - which details the internal structure of such a file. - - - Binning of raw data (see [here](https://www.nature.com/articles/s41597-020-00769-8) - for additional resources) into a h5 file and consecutively generating a - NeXus file from it. - - - An analysis example using data in the NeXus format and employing the [pyARPES](https://github.com/chstan/arpes) - analysis tool to reproduce the main findings of [this paper](https://arxiv.org/pdf/2107.07158.pdf).' - external_mounts: [] - file_extensions: - - ipynb - - nxs - - h5 - - hdf5 - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/mpes/webtop - image_pull_policy: Always - maintainer: - - email: florian.dobener@physik.hu-berlin.de - name: Florian Dobener - mount_path: /config - privileged: true - short_description: An example for analyzing mpes data. - with_path: false + with_path: true xps: - description: Includes tools for analyzing X-ray Photoelectron Spectroscopy - (XPS) spectra and converting SPECS SLE files into NeXus. + description: '### **XPES**: X-ray Photoelectron Spectroscopy + + Includes tools for analyzing X-ray Photoelectron Spectroscopy + (XPS) spectra and converting SPECS SLE files into NeXus.' external_mounts: [] file_extensions: - ipynb - nxs - h5 - hdf5 - icon: jupyter_logo.svg - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/xps/jupyter:master + icon: logo/jupyter.svg + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/xps:refactor + default_url: /lab image_pull_policy: Always maintainer: - email: florian.dobener@physik.hu-berlin.de @@ -378,9 +450,11 @@ north: path_prefix: lab/tree privileged: false short_description: An example for analyzing XPS data. - with_path: false + with_path: true sts: - description: 'This example is for two types of experiments: Scanning Tunneling + description: '### **STS**: Scanning Tunneling Spectroscopy + + This example is for two types of experiments: Scanning Tunneling Microscopy (STM) and Scanning Tunneling Spectroscopy (STS) from Scanning Probe Microscopy. It can transform the data from files generated by a the nanonis software into the NeXus application definition NXsts. The example @@ -392,9 +466,10 @@ north: - nxs - h5 - hdf5 - icon: jupyter_logo.svg - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/sts-jupyter + icon: logo/jupyter.svg + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/sts:refactor image_pull_policy: Always + default_url: /lab maintainer: - email: rubel.mozumder@physik.hu-berlin.de name: Rubel Mozumder @@ -402,80 +477,27 @@ north: path_prefix: lab/tree privileged: false short_description: An example for analyzing SPM (STM / STS) experiment. - with_path: false - webtop: - description: Baseline webtop image for test - external_mounts: [] - file_extensions: [] - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/webtop - image_pull_policy: Always - maintainer: - - email: sherjeel.shabih@hu-berlin.de - name: Sherjeel Shabih - mount_path: /config - privileged: true - with_path: false + with_path: true apmtools: - description: 'Miscellaneous tools from the atom probe community: + description: '### **APM tools**: Atom Probe Microscopy tools + + Miscellaneous tools from the atom probe community: Currently APTyzer, paraprobe-toolbox, and APAV' external_mounts: [] - file_extensions: [] - icon: jupyter_logo.svg - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/apmtools-webtop + file_extensions: + - ipynb + icon: logo/jupyter.svg + image: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/apmtools:refactor image_pull_policy: Always + default_url: /lab maintainer: - email: markus.kuehbach@physik.hu-berlin.de name: "Markus K\xFChbach" - mount_path: /config - privileged: true + mount_path: /home/jovyan + privileged: false short_description: An example for analyzing atom probe data. - with_path: false - fiji: - description: ImageJ and Fiji with amongst others several electron-microscopy - specific plug-ins - external_mounts: [] - file_extensions: [] - icon: jupyter_logo.svg - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/fiji-webtop - image_pull_policy: Always - maintainer: - - email: markus.kuehbach@physik.hu-berlin.de - name: "Markus K\xFChbach" - mount_path: /config - privileged: true - short_description: ImageJ and Fiji for image processing - with_path: false - frwr: - description: FRWR3 in-line holography/focus series reconstruction code - external_mounts: [] - file_extensions: [] - icon: jupyter_logo.svg - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/frwr-webtop - image_pull_policy: Always - maintainer: - - email: markus.kuehbach@physik.hu-berlin.de - name: "Markus K\xFChbach" - mount_path: /config - privileged: true - short_description: Inline electron holography by C. Koch - with_path: false - abtem: - description: VESTA, GPAW, and abTEM configured in one container for simulating - images and diffraction patterns in transmission electron microscopy - external_mounts: [] - file_extensions: [] - icon: jupyter_logo.svg - image: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/abtem-webtop - image_pull_policy: Always - maintainer: - - email: markus.kuehbach@physik.hu-berlin.de - name: "Markus K\xFChbach" - mount_path: /config - privileged: true - short_description: Electronic structure supported image simulation for transmission - electron microscopy. - with_path: false + with_path: true windows: true ui: entry: diff --git a/nomad/config/models/north.py b/nomad/config/models/north.py index f65370af0e..594cfc7a59 100644 --- a/nomad/config/models/north.py +++ b/nomad/config/models/north.py @@ -65,11 +65,18 @@ class NORTHTool(BaseModel): privileged: bool = Field( False, description='Whether the tool needs to run in privileged mode.' ) + default_url: str = Field( + None, + description=( + 'An optional path prefix that is added to the container URL to ' + 'reach the tool, e.g. "/lab" for jupyterlab.' + ), + ) path_prefix: str = Field( None, description=( 'An optional path prefix that is added to the container URL to ' - 'reach the tool, e.g. "lab/tree" for jupyterlab.' + 'reach the files, e.g. "lab/tree" for jupyterlab.' ), ) with_path: bool = Field( diff --git a/nomad/jupyterhub_config.py b/nomad/jupyterhub_config.py index fcd937ead1..a4ddc7e349 100644 --- a/nomad/jupyterhub_config.py +++ b/nomad/jupyterhub_config.py @@ -73,6 +73,10 @@ def pre_spawn(spawner): spawner.image = tool.get('image') spawner.cmd = tool.get('cmd') + # Workaround to have specific default_url for specific containers without using profiles + if tool.get('default_url'): + spawner.default_url = tool.get('default_url') + c.Spawner.pre_spawn_hook = pre_spawn diff --git a/ops/kubernetes/nomad/updatevalues.py b/ops/kubernetes/nomad/updatevalues.py index 3a4ba1e04c..a902d7fe1c 100644 --- a/ops/kubernetes/nomad/updatevalues.py +++ b/ops/kubernetes/nomad/updatevalues.py @@ -46,12 +46,14 @@ if generate_profiles: ) ) - if tool.path_prefix: - profile['kubespawner_override']['default_url'] = tool.path_prefix + if tool.default_url: + profile['kubespawner_override']['default_url'] = tool.default_url if tool.cmd: profile['kubespawner_override']['cmd'] = tool.cmd if tool.privileged: profile['kubespawner_override']['privileged'] = tool.privileged + profile['kubespawner_override']['allow_privilege_escalation'] = True + profile['kubespawner_override']['uid'] = 0 else: pre_puller = data.setdefault('jupyterhub', {}).setdefault('prePuller', {}) diff --git a/ops/kubernetes/nomad/values.yaml b/ops/kubernetes/nomad/values.yaml index 0d517f7310..98498b784c 100644 --- a/ops/kubernetes/nomad/values.yaml +++ b/ops/kubernetes/nomad/values.yaml @@ -524,6 +524,10 @@ jupyterhub: spawner.image = tool.get('image') spawner.cmd = tool.get('cmd') + # Workaround to have specific default_url for specific containers without using profiles + if tool.get('default_url'): + spawner.default_url = tool.get('default_url') + # Workaround for webtop based images (no connection to jupyterhub itself) if tool.get('privileged'): spawner.privileged = True @@ -549,43 +553,37 @@ jupyterhub: extraImages: jupyter: name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/jupyter - tag: latest + tag: refactor pyiron: name: pyiron/pyiron tag: latest nionswift: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/nionswift-webtop - tag: latest + name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/nionswift + tag: refactor nexustools: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/nexus-webtop - tag: latest + name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/nexus + tag: weptop-replacement + fiji: + name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/fiji + tag: weptop-replacement + vesta: + name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/abtem + tag: refactor + abtem: + name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/abtem + tag: refactor ellips: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/ellips/jupyter - tag: latest - mpes: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/mpes/webtop - tag: latest + name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/ellips + tag: refactor xps: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/xps/jupyter - tag: master + name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/xps + tag: refactor sts: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/sts-jupyter - tag: latest - webtop: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/webtop - tag: latest + name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/sts + tag: refactor apmtools: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/apmtools-webtop - tag: latest - fiji: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/fiji-webtop - tag: latest - frwr: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/frwr-webtop - tag: latest - abtem: - name: gitlab-registry.mpcdf.mpg.de/nomad-lab/nomad-remote-tools-hub/abtem-webtop - tag: latest + name: gitlab-registry.mpcdf.mpg.de/nomad-lab/north/apmtools + tag: refactor scheduling: userScheduler: enabled: false -- GitLab