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no of points for ESP charge calculation improved #35

no of points for ESP charge calculation improved

no of points for ESP charge calculation improved #35

name: 'Build and Test QUICK Serial Version'
on:
push:
paths-ignore:
- '**.md'
pull_request:
paths-ignore:
- '**.md'
jobs:
build-and-test-serial-legacy-configure-make:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- name: 'Install Dependencies for Serial Version'
run: |
sudo apt-get update
sudo apt-get -y install gfortran
- name: 'Configure Serial Version'
run: ./configure --serial --enablef --prefix $PWD/install gnu
- name: 'Build and Install Serial Version Using 2 Jobs'
run: make -j2 all install
- name: 'Setup Environment Variables for Running Tests'
run: |
echo "QUICK_HOME=$PWD/install" >> "$GITHUB_ENV"
- name: 'Run Tests for Serial Version (Make)'
run: make fulltest
- name: 'Archive Test Results for Serial Version'
if: always()
uses: actions/upload-artifact@v4
with:
name: 'serial-legacy-configure-make-tests'
path: /home/runner/work/QUICK/QUICK/install/test/runs/serial
retention-days: 3
- uses: actions/download-artifact@v4
with:
name: 'serial-legacy-configure-make-tests'
- name: 'Display Artifacts'
run: ls -R
build-and-test-serial-cmake:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- name: 'Install Dependencies for Serial Version (CMake)'
run: |
sudo apt-get update
sudo apt-get -y install gfortran cmake
- name: 'Configure Serial Version (CMake)'
run: |
mkdir build
cd build
cmake .. -DCOMPILER=GNU -DENABLEF=TRUE -DCMAKE_INSTALL_PREFIX=$PWD/../install
- name: 'Build and Install Serial Version (CMake) Using 2 Jobs'
run: |
cd build
cmake --build . --parallel 2
cmake --install .
- name: 'Setup Environment Variables for Running Tests'
run: |
echo "QUICK_HOME=$PWD/install" >> "$GITHUB_ENV"
- name: 'Run Tests for Serial Version'
run: |
cd install
./runtest --serial --full
- name: 'Archive Test Results for Serial Version (CMake)'
if: always()
uses: actions/upload-artifact@v4
with:
name: 'serial-cmake-tests'
path: /home/runner/work/QUICK/QUICK/install/test/runs/serial
retention-days: 3