Merge pull request #172 from dyzheng/develop

Merge v2.3.2 branch to abacusmodeling

Author: dyzheng

.github/ISSUE_TEMPLATE/bug-report.md

@@ -0,0 +1,54 @@
+name: Bug Report
+description: Create a report for problems with ABACUS
+labels: Bug
+assignees: 
+  - dyzheng
+body: 
+- type: textarea
+  attributes:
+    label: Describe the bug
+    description: |
+      A clear and concise description of what the bug is. The bug may results in:  
+      - abnormal interruption of the program,
+      - systematic or randomized numerical error, or
+      - relatively low efficiency.
+  validations:
+    required: true
+
+- type: textarea
+  attributes:
+    label: Expected behavior
+    description: |
+      A clear and concise description of what you expected to happen.
+
+- type: textarea
+  attributes:
+    label: To Reproduce
+    description: |
+      Steps to reproduce the behavior:
+      1. [e.g. clone the source code from ...]
+      2. [e.g. configure CMake with options ...]
+      3. [e.g. build ABACUS with ...]
+      4. [e.g. run ABACUS with ...]
+      
+      It is recommended to attach your calculation case here for the developers to reproduce the bug.
+
+- type: textarea
+  attributes:
+    label: Environment
+    description: |
+      - OS: [e.g. Ubuntu 20.04]
+      - Compiler: [e.g. gcc 5.1.0]
+      - Dependencies: [e.g. Intel MKL, OpenBLAS]
+
+- type: textarea
+  attributes:
+    label: Additional Context
+    description: |
+      Add any other context about the problem here.
+- type: markdown
+  attributes:
+    value: >
+      Thanks for contributing 🎉!
+
+

.github/ISSUE_TEMPLATE/bug-report.yml

@@ -0,0 +1,33 @@
+name: Feature Request
+description: Suggest something more for ABACUS to do
+labels: Feature
+assignees: 
+  - mohanchen
+
+body:
+- type: textarea
+  attributes:
+    label: Background
+    description: |
+      A clear and concise description of why this new feature is important.
+  validations:
+    required: true
+
+- type: textarea
+  attributes:
+    label: Describe the solution you'd like
+    description: |
+      A clear and concise description of what you want to happen.
+  validations:
+    required: true
+
+- type: textarea
+  attributes:
+    label: Additional Context
+    description: |
+      Add any other context or screenshots about the feature request here.
+
+- type: markdown
+  attributes:
+    value: >
+      Thanks for contributing 🎉!

.github/ISSUE_TEMPLATE/feature-request.md

@@ -0,0 +1,18 @@
+name: Help Wanted
+description: For general questions or assistance.
+labels: Help wanted
+assignees: 
+  - caic99
+
+body:
+- type: textarea
+  attributes:
+    label: Details
+    description: |
+      Want to use ABACUS for certain system? Facing problems when installing ABACUS? Don't know how to choose a good parameter? Feel free to reach us, and we'll do our best to help!
+  validations:
+    required: true
+- type: markdown
+  attributes:
+    value: >
+      Thanks for contributing 🎉!

.github/ISSUE_TEMPLATE/feature-request.yml

@@ -0,0 +1,27 @@
+name: Software Enhancements
+description: Suggest an idea to make ABACUS more robust and organized
+labels: Refactor
+assignees: 
+  - caic99
+
+body:
+- type: textarea
+  attributes:
+    label: Describe Current Status and Possible Solution
+    description: |
+      A clear and concise description of why this enhancement is important. 
+      Describing the current situation of ABACUS is preferred.
+      If you have some ideas about how to achieve it, please feel free to comment.
+  validations:
+    required: true
+
+- type: textarea
+  attributes:
+    label: Additional Context
+    description: |
+      Add any other context or screenshots about the enhancement here.
+
+- type: markdown
+  attributes:
+    value: >
+      Thanks for contributing 🎉!

.github/ISSUE_TEMPLATE/functionality-request.md

@@ -1,5 +1,7 @@
 name: Build Test
-on: push
+on:
+  push:
+  pull_request:
 
 jobs:
   test:
@@ -11,7 +13,7 @@ jobs:
           build_args: ""
           name: "Build with GNU compilers"
         - tag: gnu
-          build_args: "-DENABLE_LIBXC=1"
+          build_args: "-DENABLE_LIBXC=1 -DENABLE_DEEPKS=1"
           name: "Build with GNU compilers and extra components"
         - tag: intel
           build_args: ""
@@ -20,7 +22,7 @@ jobs:
           build_args: "-DUSE_CUDA=1"
           name: "Build with CUDA kit"
     name: ${{ matrix.name }}
-    container: ghcr.io/${{ github.repository_owner }}/abacus-development-kit:${{ matrix.tag }}
+    container: ghcr.io/deepmodeling/abacus-development-kit:${{ matrix.tag }}
     steps:
       - name: Checkout
         uses: actions/checkout@v3