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Add documentation to dockerfile. #588

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Merged
dyzheng merged 4 commits into from
Dec 29, 2021
Merged

Add documentation to dockerfile. #588

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a397422
Add support to gitpod.
caic99 Dec 28, 2021
32a68fb
Add link for configuration files.
caic99 Dec 29, 2021
af09bdb
Add doc for docker, VS Code Container, and gitpod.
caic99 Dec 29, 2021
d6d8940
Fix typo of git address.
caic99 Dec 29, 2021
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2 changes: 2 additions & 0 deletions .gitpod.yml
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@@ -0,0 +1,2 @@
# https://www.gitpod.io/docs/configure
image: "ghcr.io/deepmodeling/abacus-development-kit:gnu"
11 changes: 9 additions & 2 deletions doc/install.md
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Expand Up @@ -7,8 +7,6 @@
- [Link LIBXC](#link-libxc)
- [Structure of the package](#structure-of-the-package)
- [Structure of source code](#structure-of-source-code)

- [Building the program](#building-the-program)
- [Installation with DeePKS](#installation-with-deepks)
- [Extra prerequisites](#extra-prerequisites)
- [Extra settings for building](#extra-settings-for-building)
Expand Down Expand Up @@ -78,6 +76,15 @@ If you use Intel toolchain, don't forget to [set environment variables](https://

[back to top](#download-and-install)

### Container Deployment

We offer a pre-built docker image containing all the requirements - you only need to clone and compile `abacus` in the container. Please refer to our [Package Page](https://github.com/deepmodeling/abacus-develop/pkgs/container/abacus-development-kit).

The project is ready for VS Code development container. Please refer to [Developing inside a Container](https://code.visualstudio.com/docs/remote/containers#_quick-start-try-a-development-container). Choose `Open a Remote Window -> Clone a Repository in Container Volume` in VS Code command palette, and put the [git address](https://github.com/deepmodeling/abacus-develop.git) of `ABACUS` when prompted.

We also support [gitpod](https://www.gitpod.io/) to offer an ready-to-use online development environment.
[![Open in Gitpod](https://gitpod.io/button/open-in-gitpod.svg)](https://gitpod.io/#https://github.com/deepmodeling/abacus-develop)

### Build and install ABACUS with CMake

#### Configure
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