From 70fdc83d9d31dbb7f032bc42011b300447a7b0ec Mon Sep 17 00:00:00 2001 From: unkcpz Date: Thu, 12 Oct 2023 14:31:41 +0000 Subject: [PATCH] =?UTF-8?q?Deploying=20to=20gh-pages=20from=20@=20aiidatea?= =?UTF-8?q?m/aiida-resource-registry@462859f2011d090c1cb44955e7ee62b2d72d8?= =?UTF-8?q?7ed=20=F0=9F=9A=80?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- database.json | 408 +++++++++++++++++++++++-------------------- resource.schema.json | 60 +++++-- 2 files changed, 261 insertions(+), 207 deletions(-) diff --git a/database.json b/database.json index 7b45009..68028c1 100644 --- a/database.json +++ b/database.json @@ -9,10 +9,12 @@ "metadata": { "tooltip": "

\n Setup up the SSH connection.\n

\n", "ssh_auth": "2FA", - "username": { - "description": "The username to use for the SSH connection", - "type": "text", - "key_display": "SSH username" + "template_variables": { + "username": { + "description": "The username to use for the SSH connection", + "type": "text", + "key_display": "SSH username" + } } } }, @@ -31,40 +33,42 @@ "prepend_text": "### computer prepend_text start ###\n#SBATCH --partition={{ slurm_partition }}\n#SBATCH --account={{ slurm_account }}\n#SBATCH --constraint=gpu\n#SBATCH --hint={{ multithreading }}\n\nexport OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK\nexport CRAY_CUDA_MPS=1\nulimit -s unlimited\n### computer prepend_text end ###", "metadata": { "tooltip": "

\n Piz Daint supercomputer at CSCS Lugano, Switzerland, hybrid partition.
\n The CSCS now require MFA to login, please check the MFA CSCS documentation for details on how to set up SSH connection.
\n If you are using the AiiDAlab, please use the MFA CSCS plugin to set SSH connection.\n

\n", - "label": { - "default": "daint-gpu", - "description": "A short name to identify the computer", - "type": "text", - "key_display": "Computer Label" - }, - "slurm_partition": { - "default": "normal", - "description": "The slurm partition to submit jobs to", - "type": "list", - "options": [ - "normal", - "debug", - "large", - "long", - "low", - "prepost" - ], - "key_display": "Slurm partition" - }, - "slurm_account": { - "description": "The slurm account to submit jobs to", - "type": "text", - "key_display": "Slurm account" - }, - "multithreading": { - "default": "nomultithread", - "description": "The multithreading hint", - "type": "list", - "options": [ - "nomultithread", - "multithread" - ], - "key_display": "Multithreading hint" + "template_variables": { + "label": { + "default": "daint-gpu", + "description": "A short name to identify the computer", + "type": "text", + "key_display": "Computer Label" + }, + "slurm_partition": { + "default": "normal", + "description": "The slurm partition to submit jobs to", + "type": "list", + "options": [ + "normal", + "debug", + "large", + "long", + "low", + "prepost" + ], + "key_display": "Slurm partition" + }, + "slurm_account": { + "description": "The slurm account to submit jobs to", + "type": "text", + "key_display": "Slurm account" + }, + "multithreading": { + "default": "nomultithread", + "description": "The multithreading hint", + "type": "list", + "options": [ + "nomultithread", + "multithread" + ], + "key_display": "Multithreading hint" + } } } } @@ -78,15 +82,17 @@ "prepend_text": "module load daint-gpu\nmodule load QuantumESPRESSO\n", "append_text": " ", "metadata": { - "code_binary_name": { - "type": "list", - "key_display": "Code name", - "options": [ - "pw", - "ph", - "dos", - "projwfc" - ] + "template_variables": { + "code_binary_name": { + "type": "list", + "key_display": "Code name", + "options": [ + "pw", + "ph", + "dos", + "projwfc" + ] + } } } }, @@ -109,10 +115,12 @@ "metadata": { "tooltip": "

\n Setup up the SSH connection.\n

\n", "ssh_auth": "2FA", - "username": { - "description": "The username to use for the SSH connection", - "type": "text", - "key_display": "SSH username" + "template_variables": { + "username": { + "description": "The username to use for the SSH connection", + "type": "text", + "key_display": "SSH username" + } } } }, @@ -129,40 +137,42 @@ "prepend_text": "#SBATCH --partition={{ slurm_partition }}\n#SBATCH --account={{ slurm_account }}\n#SBATCH --constraint=mc\n#SBATCH --cpus-per-task=1\n#SBATCH --hint={{ multithreading }}\n\nexport OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK\nsource $MODULESHOME/init/bash\nulimit -s unlimited", "metadata": { "tooltip": "

\n Piz Daint supercomputer at CSCS Lugano, Switzerland, hybrid partition.
\n The CSCS now require MFA to login, please check the MFA CSCS documentation for details on how to set up SSH connection.
\n If you are using the AiiDAlab, please use the MFA CSCS plugin to set SSH connection.\n

\n", - "label": { - "default": "daint-mc", - "description": "A short name to identify the computer", - "type": "text", - "key_display": "Computer Label" - }, - "slurm_partition": { - "default": "normal", - "description": "The slurm partition to submit jobs to", - "type": "list", - "options": [ - "normal", - "debug", - "large", - "long", - "low", - "prepost" - ], - "key_display": "Slurm partition" - }, - "slurm_account": { - "description": "The slurm account to submit jobs to", - "type": "text", - "key_display": "Slurm account" - }, - "multithreading": { - "default": "nomultithread", - "description": "The multithreading hint", - "type": "list", - "options": [ - "nomultithread", - "multithread" - ], - "key_display": "Multithreading hint" + "template_variables": { + "label": { + "default": "daint-mc", + "description": "A short name to identify the computer", + "type": "text", + "key_display": "Computer Label" + }, + "slurm_partition": { + "default": "normal", + "description": "The slurm partition to submit jobs to", + "type": "list", + "options": [ + "normal", + "debug", + "large", + "long", + "low", + "prepost" + ], + "key_display": "Slurm partition" + }, + "slurm_account": { + "description": "The slurm account to submit jobs to", + "type": "text", + "key_display": "Slurm account" + }, + "multithreading": { + "default": "nomultithread", + "description": "The multithreading hint", + "type": "list", + "options": [ + "nomultithread", + "multithread" + ], + "key_display": "Multithreading hint" + } } } } @@ -184,15 +194,17 @@ "prepend_text": "module load daint-mc\nmodule load QuantumESPRESSO\n", "append_text": "", "metadata": { - "code_binary_name": { - "key_display": "Code name", - "type": "list", - "options": [ - "pw", - "ph", - "dos", - "projwfc" - ] + "templte_variables": { + "code_binary_name": { + "key_display": "Code name", + "type": "list", + "options": [ + "pw", + "ph", + "dos", + "projwfc" + ] + } } } }, @@ -204,15 +216,17 @@ "prepend_text": "module load daint-mc\nmodule load QuantumESPRESSO\n", "append_text": "", "metadata": { - "code_binary_name": { - "key_display": "Code name", - "type": "list", - "options": [ - "pw", - "ph", - "dos", - "projwfc" - ] + "templte_variables": { + "code_binary_name": { + "key_display": "Code name", + "type": "list", + "options": [ + "pw", + "ph", + "dos", + "projwfc" + ] + } } } }, @@ -237,10 +251,12 @@ "metadata": { "tooltip": "

\n Setup up the SSH connection.\n

\n", "ssh_auth": "password", - "username": { - "description": "The username to use for the SSH connection", - "type": "text", - "key_display": "SSH username" + "template_variables": { + "username": { + "description": "The username to use for the SSH connection", + "type": "text", + "key_display": "SSH username" + } } } }, @@ -257,42 +273,44 @@ "prepend_text": "#SBATCH --partition={{ slurm_partition }}\n#SBATCH --account=merlin\n#SBATCH --cluster=gmerlin6\n#SBATCH --constraint={{ slurm_constraint }}\n\n#SBATCH --hint={{ multithreading }}\n\nulimit -s unlimited", "metadata": { "tooltip": "

\n Merlin HPC at PSI (gpu).\n

\n", - "label": { - "default": "merlin-gpu", - "description": "A short name to identify the computer", - "type": "text", - "key_display": "Computer Label" - }, - "slurm_partition": { - "default": "gpu", - "description": "The slurm partition to submit jobs to", - "type": "list", - "options": [ - "gpu", - "gpu-short" - ], - "key_display": "Slurm partition" - }, - "slurm_constraint": { - "default": "gpumem_8gb", - "description": "Specify the GPU by the amount of memory available in the GPU card itself.", - "type": "list", - "options": [ - "gpumem_8gb", - "gpumem_11gb", - "gpumem_40gb" - ], - "key_display": "Slurm constraint" - }, - "multithreading": { - "default": "nomultithread", - "description": "The multithreading hint", - "type": "list", - "options": [ - "nomultithread", - "multithread" - ], - "key_display": "Multithreading hint" + "template_variables": { + "label": { + "default": "merlin-gpu", + "description": "A short name to identify the computer", + "type": "text", + "key_display": "Computer Label" + }, + "slurm_partition": { + "default": "gpu", + "description": "The slurm partition to submit jobs to", + "type": "list", + "options": [ + "gpu", + "gpu-short" + ], + "key_display": "Slurm partition" + }, + "slurm_constraint": { + "default": "gpumem_8gb", + "description": "Specify the GPU by the amount of memory available in the GPU card itself.", + "type": "list", + "options": [ + "gpumem_8gb", + "gpumem_11gb", + "gpumem_40gb" + ], + "key_display": "Slurm constraint" + }, + "multithreading": { + "default": "nomultithread", + "description": "The multithreading hint", + "type": "list", + "options": [ + "nomultithread", + "multithread" + ], + "key_display": "Multithreading hint" + } } } } @@ -306,15 +324,17 @@ "prepend_text": "module use unstable;\nmodule load gcc/11.2.0 openmpi/4.1.3_slurm\nmodule load qe/7.0\n", "append_text": "", "metadata": { - "code_binary_name": { - "key_display": "Code name", - "type": "list", - "options": [ - "pw", - "ph", - "dos", - "projwfc" - ] + "template_variables": { + "code_binary_name": { + "key_display": "Code name", + "type": "list", + "options": [ + "pw", + "ph", + "dos", + "projwfc" + ] + } } } } @@ -328,10 +348,12 @@ "metadata": { "tooltip": "

\n Setup up the SSH connection.\n

\n", "ssh_auth": "password", - "username": { - "description": "The username to use for the SSH connection", - "type": "text", - "key_display": "SSH username" + "template_variables": { + "username": { + "description": "The username to use for the SSH connection", + "type": "text", + "key_display": "SSH username" + } } } }, @@ -348,32 +370,34 @@ "prepend_text": "#SBATCH --partition={{ slurm_partition }}\n#SBATCH --account=merlin\n#SBATCH --cluster=merlin6\n\n#SBATCH --cpus-per-task=1\n#SBATCH --hint={{ multithreading }}\n\nulimit -s unlimited", "metadata": { "tooltip": "

\n Merlin HPC at PSI.\n

\n", - "label": { - "default": "merlin-cpu", - "description": "A short name to identify the computer", - "type": "text", - "key_display": "Computer Label" - }, - "slurm_partition": { - "default": "general", - "description": "The slurm partition to submit jobs to", - "type": "list", - "options": [ - "general", - "daily", - "hourly" - ], - "key_display": "Slurm partition" - }, - "multithreading": { - "default": "nomultithread", - "description": "The multithreading hint", - "type": "list", - "options": [ - "nomultithread", - "multithread" - ], - "key_display": "Multithreading hint" + "template_variables": { + "label": { + "default": "merlin-cpu", + "description": "A short name to identify the computer", + "type": "text", + "key_display": "Computer Label" + }, + "slurm_partition": { + "default": "general", + "description": "The slurm partition to submit jobs to", + "type": "list", + "options": [ + "general", + "daily", + "hourly" + ], + "key_display": "Slurm partition" + }, + "multithreading": { + "default": "nomultithread", + "description": "The multithreading hint", + "type": "list", + "options": [ + "nomultithread", + "multithread" + ], + "key_display": "Multithreading hint" + } } } } @@ -387,15 +411,17 @@ "prepend_text": "module use unstable;\nmodule load gcc/11.2.0 openmpi/4.1.3_slurm\nmodule load qe/7.0\n", "append_text": "", "metadata": { - "code_binary_name": { - "key_display": "Code name", - "type": "list", - "options": [ - "pw", - "ph", - "dos", - "projwfc" - ] + "template_variables": { + "code_binary_name": { + "key_display": "Code name", + "type": "list", + "options": [ + "pw", + "ph", + "dos", + "projwfc" + ] + } } } } diff --git a/resource.schema.json b/resource.schema.json index 7391b02..5e13d52 100644 --- a/resource.schema.json +++ b/resource.schema.json @@ -16,20 +16,8 @@ "$ref": "#/definitions/resource" } }, - "metadata": { + "template_variables": { "type": "object", - "properties": { - "tooltip": { - "type": "string" - }, - "ssh_auth": { - "type": "string", - "enum": [ - "password", - "2FA" - ] - } - }, "additionalProperties": { "type": "object", "properties": { @@ -136,7 +124,15 @@ "type": "string" }, "metadata": { - "$ref": "#/definitions/metadata" + "type": "object", + "properties": { + "tooltip": { + "type": "string" + }, + "template_variables": { + "$ref": "#/definitions/template_variables" + } + } } }, "required": [ @@ -167,7 +163,23 @@ "type": "string" }, "metadata": { - "$ref": "#/definitions/metadata" + "type": "object", + "properties": { + "tooltip": { + "type": "string" + }, + "ssh_auth": { + "type": "string", + "enum": [ + "password", + "key", + "2FA" + ] + }, + "template_variables": { + "$ref": "#/definitions/template_variables" + } + } } }, "required": [ @@ -199,7 +211,23 @@ "type": "string" }, "metadata": { - "$ref": "#/definitions/metadata" + "type": "object", + "properties": { + "tooltip": { + "type": "string" + }, + "ssh_auth": { + "type": "string", + "enum": [ + "password", + "key", + "2FA" + ] + }, + "template_variables": { + "$ref": "#/definitions/template_variables" + } + } } }, "required": [