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update readme and docs
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PKUfjh committed Aug 21, 2023
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7 changes: 7 additions & 0 deletions README.md
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Expand Up @@ -128,6 +128,13 @@ A tutorial on using Rid-kit with k8s environment configured by your own can be f

# Use Rid-kit without k8s environment
To run the workflow without k8s environment, one can use the `Debug` mode of `Dflow`. In this mode however, one can not monitor the workflow in the `Argo` UI.
## Install the computation environment
If you want to run Rid-kit on a local machine or server, without `k8s` enviroment, you need to configure a conda environment on your machine, see [Installation](docs/source/install.md))
## Install the latest rid-kit
```bash
pip install setuptools_scm
pip install -U rid-kit
```
## Run an example
If one wants to run the workflow on the `Slurm` machine locally, change to the rid-kit directory and type (change to your slurm configuration)

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1 change: 1 addition & 0 deletions docs/source/install.md
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Expand Up @@ -86,6 +86,7 @@ Set the enviroment variables
source ${CONDA_PREFIX}/bin/GMXRC
```

**If you want to install Lammps into your enviroment, you can execute the following part, otherwise neglect it**
### Install Lammps-stable_23Jun2022_update1
```bash
tar -xzvf stable_23Jun2022_update1.tar.gz
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1 change: 1 addition & 0 deletions docs/source/install_dp.md
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Expand Up @@ -106,6 +106,7 @@ Set the enviroment variables
source ${CONDA_PREFIX}/bin/GMXRC
```

**If you want to install Lammps into your enviroment, you can execute the following part, otherwise neglect it**
### Install Lammps-stable_23Jun2022_update1
```bash
cd $deepmd_source_dir/source/build
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