Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

docs: clean up deprecated deepmodeling conda channel docs #4385

Merged
merged 1 commit into from
Nov 21, 2024
Merged

docs: clean up deprecated deepmodeling conda channel docs #4385

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
20 changes: 0 additions & 20 deletions doc/install/build-conda.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -6,23 +6,3 @@ The official channel has been deprecated since 3.0.0.
Refer to [conda-forge documentation](https://conda-forge.org/docs/maintainer/adding_pkgs/) for how to contribute and build packages locally.
:::
::::

One may want to keep both convenience and personalization of the DeePMD-kit. To achieve this goal, one can consider building conda packages. We provide building scripts in [deepmd-kit-recipes organization](https://github.com/deepmd-kit-recipes/). These building tools are driven by [conda-build](https://github.com/conda/conda-build) and [conda-smithy](https://github.com/conda-forge/conda-smithy).

For example, if one wants to turn on `MPIIO` package in LAMMPS, go to [`lammps-feedstock`](https://github.com/deepmd-kit-recipes/lammps-feedstock/) repository and modify `recipe/build.sh`. `-D PKG_MPIIO=OFF` should be changed to `-D PKG_MPIIO=ON`. Then go to the main directory and execute

```sh
./build-locally.py
```

This requires that Docker has been installed. After the building, the packages will be generated in `build_artifacts/linux-64` and `build_artifacts/noarch`, and then one can install then executing

```sh
conda create -n deepmd lammps -c file:///path/to/build_artifacts -c https://conda.deepmodeling.com -c nvidia
```

One may also upload packages to one's Anaconda channel, so they can be installed on other machines:

```sh
anaconda upload /path/to/build_artifacts/linux-64/*.tar.bz2 /path/to/build_artifacts/noarch/*.tar.bz2
```
26 changes: 0 additions & 26 deletions doc/install/easy-install.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -60,32 +60,6 @@ Maintainers will build packages in the conda-forge organization together with ot
:::
::::

One may create an environment that contains the CPU version of DeePMD-kit and LAMMPS:

```bash
conda create -n deepmd deepmd-kit=*=*cpu libdeepmd=*=*cpu lammps -c https://conda.deepmodeling.com -c defaults
```

Or one may want to create a GPU environment containing [CUDA Toolkit](https://docs.nvidia.com/deploy/cuda-compatibility/index.html#binary-compatibility__table-toolkit-driver):

```bash
conda create -n deepmd deepmd-kit=*=*gpu libdeepmd=*=*gpu lammps cudatoolkit=11.6 horovod -c https://conda.deepmodeling.com -c defaults
```

One could change the CUDA Toolkit version from `10.2` or `11.6`.

One may specify the DeePMD-kit version such as `2.2.9` using

```bash
conda create -n deepmd deepmd-kit=2.2.9=*cpu libdeepmd=2.2.9=*cpu lammps horovod -c https://conda.deepmodeling.com -c defaults
```

One may enable the environment using

```bash
conda activate deepmd
```

## Install with docker

A docker for installing the DeePMD-kit is available [here](https://github.com/deepmodeling/deepmd-kit/pkgs/container/deepmd-kit).
Expand Down