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docs: update installing instructions #47

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53 changes: 26 additions & 27 deletions unidock/README.md
Original file line number Diff line number Diff line change
Expand Up @@ -30,33 +30,32 @@ Uni-Dock supports NVIDIA GPUs on Linux platform.

1. Install dependencies

- Boost >= 1.72

```bash
sudo apt install libboost-system-dev libboost-thread-dev libboost-serialization-dev libboost-filesystem-dev libboost-program-options-dev libboost-timer-dev
```

Alternatively, install from [boost source codes](https://www.boost.org/users/download/) or from [anaconda](https://anaconda.org/anaconda/libboost) with `conda install -c anaconda libboost`

- CUDA toolkit: Please refer to the [installation tutorial](https://docs.nvidia.com/cuda/cuda-installation-guide-linux/index.html) provided by nvidia.

2. Clone GitHub repo or retrieve source code from release page

3. Build Uni-Dock using CMake:

```bash
cmake -B build
cmake --build build -j4
```

Or build with Makefile:
```bash
cd ./build/linux/release
make clean
make -j 4
```

Add the build directory to your `PATH` environment variable.
- CUDA toolkit: Please refer to the [installation tutorial](https://docs.nvidia.com/cuda/cuda-installation-guide-linux/index.html) provided by nvidia.
- CMake >= 3.16
- A C++ compiler (should be compatible with NVCC; `g++` works for most cases)
- Boost >= 1.72

```bash
sudo apt install libboost-system-dev libboost-thread-dev libboost-serialization-dev libboost-filesystem-dev libboost-program-options-dev libboost-timer-dev
```

Alternatively, install from [boost source codes](https://www.boost.org/users/download/) or from [anaconda](https://anaconda.org/anaconda/libboost) with `conda install -c anaconda libboost`

2. Clone repo or retrieve source code from [release page](https://github.com/dptech-corp/Uni-Dock/releases):

```bash
git clone https://github.com/dptech-corp/Uni-Dock.git
```

4. Build Uni-Dock using CMake:

```bash
cd Uni-Dock/unidock
cmake -B build
cmake --build build -j4
cmake --install build # This will add `unidock` to the default installation path for executables.
# Otherwise, prepend the building directory to your `PATH` environment variable.
```

### Using binary

Expand Down