installation

[dinu09]

I am having difficulty installing. I tried all the methods mentioned here. but none of them is working. I am using CentOS. I installed dependencies and cuda toolkit using conda .

1. Cloned from github repo but when I tried to execute cmake command, i got an error saying no folder build found. I want to know if I am missing something here.
2. I tried to use conda to install Uni-dock using "conda install -c https://conda.mlops.dp.tech/caic -c conda-forge unidock" but again got an error "_conda.core.prefix_data:_load_single_record(216): Ignoring malformed prefix record at: home/miniconda3/conda-meta/unidock-1.0.0-55.json"
3. Then i tried downloading "unidock-1.0.0-5_5.tar.bz2" file and run "conda install -c conda-forge unidock-1.0.0-5_5.tar.bz2" command. the command ran without errors but when I try to execute "unidock --help", I get an error unknown command.

I am new to this. So, it will be great if someone can help. thanks!

[caic99]

Hi @dinu09 , I'm glad to help, and would you provide us the detailed command and output log in step 1 ? Thanks.

[dinu09]

Thanks @caic99.

When I execute the cmake command, this is the error I got. CMake Error: The source directory "/home/users/dinesh/Uni-Dock/build" does not exist. Specify --help for usage, or press the help button on the CMake GUI

[caic99]

Thanks @caic99.

When I execute the cmake command, this is the error I got. CMake Error: The source directory "/home/users/dinesh/Uni-Dock/build" does not exist. Specify --help for usage, or press the help button on the CMake GUI

@dinu09 Please also provide your input command

[dinu09]

cmake -B build

[caic99]

cmake -B build

@dinu09 Please enter the unidock subdirectory first. We will make the installation step more clear in our docs.

[dinu09]

@caic99 I entered unidock subdirectory and executed the cmake -B build command.

CMake Error: The source directory "/home/users/dinesh/Uni-Dock/unidock/build" does not exist.

[caic99]

@dinu09 The command you used looks correct for me... Please try another approach:

mkdir build
cd build
cmake ..

[dinu09]

@caic99 after cmake .. should I use cmake --build build -j4?

[caic99]

@caic99 after cmake .. should I use cmake --build build -j4?

@dinu09 Yes, please go ahead if the configuration succeed.