bohrium-image

SKILL: Bohrium Image Management

Overview

Manage container images on the Bohrium platform. Prefer bohr CLI; fall back to the API for Dockerfile builds and version search.

Since 2023, Bohrium no longer supports VM jobs — container images are required.

Authentication

"bohrium-image": {
  "enabled": true,
  "apiKey": "YOUR_BOHR_ACCESS_KEY",
  "env": { "BOHR_ACCESS_KEY": "YOUR_BOHR_ACCESS_KEY" }
}

Only configure BOHR_ACCESS_KEY for this skill. Helper scripts handle any legacy CLI compatibility internally.

Prerequisites: Install bohr CLI

# macOS
/bin/bash -c "$(curl -fsSL https://dp-public.oss-cn-beijing.aliyuncs.com/bohrctl/1.0.0/install_bohr_mac_curl.sh)"
# Linux
/bin/bash -c "$(curl -fsSL https://dp-public.oss-cn-beijing.aliyuncs.com/bohrctl/1.0.0/install_bohr_linux_curl.sh)"
source ~/.bashrc && export PATH="$HOME/.bohrium:$PATH"

---

List Images

bohr image list                 # Custom images (table)
bohr image list --json          # JSON

# Public images by type
bohr image list -t "Basic Image"
bohr image list -t "DeePMD-kit"
bohr image list -t "LAMMPS"
bohr image list -t "ABACUS"
bohr image list -t "CP2K"
bohr image list -t "GROMACS"
bohr image list -t "Uni-Mol"

JSON fields: imageId, name, url, status (available/building), creatorName

---

Quick Reference: Public Images

Base Images

Scenario	Image
CPU	registry.dp.tech/dptech/ubuntu:20.04-py3.10
CPU + Intel MPI	registry.dp.tech/dptech/ubuntu:20.04-py3.10-intel2022
GPU	registry.dp.tech/dptech/ubuntu:20.04-py3.10-cuda11.6
GPU + Intel MPI	registry.dp.tech/dptech/ubuntu:20.04-py3.10-intel2022-cuda11.6

Scientific Software

Software	Image
DeePMD-kit	registry.dp.tech/dptech/deepmd-kit:2.1.5-cuda11.6
DPGEN	registry.dp.tech/dptech/dpgen:0.10.6
LAMMPS	registry.dp.tech/dptech/lammps:29Sep2021
GROMACS	registry.dp.tech/dptech/gromacs:2022.2
Quantum-Espresso	registry.dp.tech/dptech/quantum-espresso:7.1
CP2K	registry.dp.tech/dptech/cp2k:7.1
ABACUS	registry.dp.tech/dptech/abacus:3.0.0

Pre-installed Software (All Public Images)

Category	Software
Python	python3.10, pip, Anaconda, Jupyter Lab
File tools	wget, curl, unzip, rsync, tree, git
Editors	emacs, vim
Build tools	cmake, build-essential (GNU)
Monitoring	htop, ncdu, net-tools
DP tools	Bohrium CLI, DP-Dispatcher, dpdata

---

VM-to-Container Image Mapping

VM Image	Container Image
LBG_DeePMD-kit_2.1.4_v1	registry.dp.tech/dptech/deepmd-kit:2.1.5-cuda11.6
LBG_DP-GEN_0.10.6_v3	registry.dp.tech/dptech/dpgen:0.10.6
LBG_LAMMPS_stable_23Jun2022_v1	registry.dp.tech/dptech/lammps:29Sep2021
gromacs-dp:2020.2	registry.dp.tech/dptech/gromacs:2022.2
LBG_Quantum-Espresso_7.1	registry.dp.tech/dptech/quantum-espresso:7.1
LBG_Common_v1/v2	registry.dp.tech/dptech/ubuntu:20.04-py3.10-cuda11.6
LBG_oneapi_2021_v1	registry.dp.tech/dptech/ubuntu:20.04-py3.10-intel2022-cuda11.6

---

Pull Image to Local

bohr image pull registry.dp.tech/dptech/deepmd-kit:3.0.0b3-cuda12.1

Requires Docker running locally. Only public and your own custom images are supported.

Manual Docker Pull (Alternative)

Replace domain with registry.bohrium.dp.tech (not registry.dp.tech):

docker login registry.bohrium.dp.tech
docker pull registry.bohrium.dp.tech/dptech/ubuntu:22.04-py3.10-intel2022
# Push is not supported

---

Delete Custom Images

bohr image delete 121510
bohr image delete 121510 121395         # Batch

---

Image Cache

Scenario	Details
Public images	Persistent cache; no extra pull time
New custom images	Cache builds in 10-30 min; wait before using
Unused 30 days	Cache expires; re-pull on next use
With cache	CPU ~20s boot, GPU ~40s boot
Without cache	+10-30 min for image pull

---

API Supplement (CLI Unsupported)

Search Public Image Versions

import os, requests
AK = os.environ.get("BOHR_ACCESS_KEY", "")
HEADERS = {"Authorization": f"Bearer {AK}"}

r = requests.get("https://open.bohrium.com/openapi/v2/image/public/version/search",
    headers=HEADERS, params={"keyword": "deepmd", "page": 1, "pageSize": 5})
# Returns: {items: [{version, resourceType, size, url, imageName}, ...]}

Browse Public Images

r = requests.get("https://open.bohrium.com/openapi/v2/image/public",
    headers=HEADERS, params={"page": 1, "pageSize": 10})

r = requests.get(f"https://open.bohrium.com/openapi/v2/image/public/{image_id}/version",
    headers=HEADERS, params={"page": 1, "pageSize": 10})

Build from Dockerfile

HEADERS_JSON = {**HEADERS, "Content-Type": "application/json"}

# Note: dockerfile field must be base64-encoded
import base64
dockerfile_content = "FROM ubuntu:22.04\nRUN apt-get update && apt-get install -y python3"
dockerfile_b64 = base64.b64encode(dockerfile_content.encode()).decode()

r = requests.post("https://open.bohrium.com/openapi/v2/image/private",
    headers=HEADERS_JSON, json={
        "name": "my-image", "projectId": 154, "device": "container",
        "desc": "Custom training image", "buildType": 1,
        "dockerfile": dockerfile_b64,
    })

# Update image description
requests.put(f"https://open.bohrium.com/openapi/v2/image/private/{image_id}",
    headers=HEADERS_JSON, json={"desc": "updated"})

# Validate Dockerfile (also requires base64)
check_b64 = base64.b64encode(b"FROM ubuntu:22.04\nRUN apt-get update").decode()
requests.post("https://open.bohrium.com/openapi/v2/image/dockerfile/check",
    headers=HEADERS_JSON, json={"dockerfile": check_b64})

# Get the last used image
r = requests.get("https://open.bohrium.com/openapi/v2/image/last_used",
    headers=HEADERS, params={"type": "public"})

Private Image Management

# List (must include device and type parameters)
r = requests.get("https://open.bohrium.com/openapi/v2/image/private",
    headers=HEADERS, params={"device": "container", "type": "private", "page": 1, "pageSize": 10})
# Returns: {items: [{id, name, url, status, buildType, creatorName, projectName, ...}]}

# Private image detail
r = requests.get(f"https://open.bohrium.com/openapi/v2/image/private/{image_id}",
    headers=HEADERS)

# Share / unshare
requests.post(f"https://open.bohrium.com/openapi/v2/image/{image_id}/share", headers=HEADERS_JSON)
requests.delete(f"https://open.bohrium.com/openapi/v2/image/{image_id}/share?device=container", headers=HEADERS)

---

Custom Image Creation

After installing software on a container node, save the environment as a custom image via the Bohrium web UI. Only the system disk is saved; /personal and /share are excluded.

Quotas

Resource	Limit
Custom images	10 per project

Unavailable Endpoints

Endpoint	Version	Reason
GET v1/image/public	v1	Caught by /:imageId route
GET v1/image/private	v1	Same
POST v2/image/version/add	v2	Not registered
DELETE v2/image/version/{versionId}	v2	Not registered

Troubleshooting

Problem	Cause	Solution
bohr image pull fails	Docker not running	Start Docker Desktop
v2 private param error	Missing required params	Add device=container&type=private parameters
no permission	Not image creator	Can only manage own images
v1 /public parse error	Route conflict	Use v2 endpoints
Wrong image address	Used name, not full URL	Must use registry.dp.tech/dptech/xxx:tag
Slow custom image cache	Cache takes 10-30 min	Wait 30 min after build
No Docker in container	Security restriction	Use VM image LBG_Common_v2
Create returns decode err	dockerfile not base64 encoded	Use base64.b64encode(content.encode()).decode()