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1 | 1 | # Using HADDOCK3 through its docker image
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2 | 2 |
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3 | 3 | As part of the possible usage of HADDOCK3, we also provide a ready to use `docker` image of HADDOCK3, where tools and packages are already installed.
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| 4 | +Note that this image corresponds to the latest release of HADDOCK3, and not the latest version. To use the latest version in docker rather build it directly ([see below](#building-your-own-docker-container-from-the-latest-version-of-haddock3)). |
4 | 5 |
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5 | 6 | ## DOCKER
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6 | 7 |
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7 | 8 | To be able to use a provided image, you first need to have `docker` installed.
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8 | 9 | Please follow the instructions you can find there: [https://www.docker.com/](https://www.docker.com/).
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9 | 10 |
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10 | 11 |
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11 |
| -## Installing HADDOCK3 from provided image |
| 12 | +## Installing HADDOCK3 from provided images |
| 13 | + |
| 14 | +### Installing the latest release |
12 | 15 |
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13 | 16 | ```bash
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14 |
| -# Install the latest haddock3 version |
15 | 17 | docker pull ghcr.io/haddocking/haddock3:latest
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16 | 18 | docker tag ghcr.io/haddocking/haddock3:latest haddock3
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| 19 | +``` |
| 20 | + |
| 21 | +### Install a specific version |
| 22 | + |
| 23 | +To install a specific version of haddock3, you must specify which release you are interested in (e.g.: `2025.05.0`) |
| 24 | + |
| 25 | +```bash |
| 26 | +docker run ghcr.io/haddocking/haddock3:2025.05.0 |
| 27 | +docker tag ghcr.io/haddocking/haddock3:2025.05.0 haddock3 |
| 28 | +``` |
| 29 | + |
| 30 | +Check [here](https://github.com/haddocking/haddock3/pkgs/container/haddock3/versions?filters%5Bversion_type%5D=tagged) to see the list of available releases. |
17 | 31 |
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18 |
| -## OR |
| 32 | +## Building your own docker container from the latest version of HADDOCK3 |
19 | 33 |
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20 |
| -# Install a haddock3 specific version (e.g: 2024.12.0b7) |
21 |
| -docker run ghcr.io/haddocking/haddock3:2024.12.0b7 |
22 |
| -docker tag ghcr.io/haddocking/haddock3:2024.12.0b7 haddock3 |
| 34 | +With this approach, you will be building a new docker image from the latest version available in the main branch of the [haddock3 GitHub repository](https://github.com/haddocking/haddock3). |
23 | 35 |
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24 |
| -# Run HADDOCK with a workflow file, e.g. myworkflow.cfg |
| 36 | +```bash |
| 37 | +# Build a container from the latest haddock3 version |
| 38 | +git clone https://github.com/haddocking/haddock3.git |
| 39 | +cd haddock3 |
| 40 | +docker build . --label haddock3 --tag haddock3 |
| 41 | +``` |
| 42 | + |
| 43 | +## Run HADDOCK with a workflow file, e.g. myworkflow.cfg |
| 44 | + |
| 45 | +```bash |
25 | 46 | docker run \
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26 | 47 | -v $(pwd):/cwd \
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27 | 48 | --workdir /cwd \
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28 | 49 | -u $(id -u) \
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29 | 50 | haddock3 \
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30 | 51 | myworkflow.cfg
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31 |
| - |
32 | 52 | ```
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| 53 | + |
| 54 | + |
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