Merge branch 'develop'

.github/workflows/build-and-test-with-lammps-release-branch.yml

@@ -0,0 +1,56 @@
+name: build-and-test-with-lammps-release-branch # workflow
+
+# Triggers for the jobs in this workflow
+on:
+  push:
+    branches: [ "master", "develop", "*/*" ]
+  pull_request:
+    branches: [ "master", "develop" ]
+
+# Steps to build lammps with octp and run tests
+jobs:
+  build-and-test:
+
+    runs-on: ubuntu-22.04 # GitHub hosted runner (machine) on which lammps will be built
+
+    steps:
+    - name: Checkout OCTP
+      uses: actions/checkout@v4
+      with:
+        path: octp
+
+    - name: Checkout LAMMPS release branch
+      uses: actions/checkout@v4
+      with:
+        repository: lammps/lammps
+        ref: release
+        path: lammps
+
+    - name: Copy OCTP files to LAMMPS src directory
+      run: |
+        cp --verbose octp/src/* lammps/src/
+
+    - name: Install OpenMPI in runner
+      run: |
+        sudo apt-get install openmpi-bin openmpi-common openmpi-doc libopenmpi-dev
+        echo "mpi version"
+        mpicc --showme:version
+
+    - name: Build LAMMPS with OCTP plugin
+      run: |
+        cd lammps/src
+        make yes-asphere
+        make yes-body
+        make yes-class2
+        make yes-dipole
+        make yes-granular
+        make yes-kspace
+        make yes-manybody
+        make yes-molecule
+        make yes-rigid
+        make yes-shock
+        make -j 8 mpi
+        if ! [ -f lmp_mpi ]; then
+          echo "::error:: lammps binary does not exist"
+          exit 1
+        fi

.github/workflows/build-and-test-with-lammps-stable-release.yml

@@ -0,0 +1,61 @@
+name: build-and-test-with-lammps-stable-release # workflow
+
+# Triggers for the jobs in this workflow
+on:
+  push:
+    branches: [ "master", "develop", "*/*" ]
+  pull_request:
+    branches: [ "master", "develop" ]
+
+# Variables
+env:
+  # tag or commit ID of the lammps release with which we want to build and test
+  LAMMPS_RELEASE: 'stable_23Jun2022_update4'
+
+# Steps to build lammps with octp and run tests
+jobs:
+  build-and-test:
+
+    runs-on: ubuntu-22.04 # GitHub hosted runner (machine) on which lammps will be built
+
+    steps:
+    - name: Checkout OCTP
+      uses: actions/checkout@v4
+      with:
+        path: octp
+
+    - name: Checkout LAMMPS latest stable_* tagged release
+      uses: actions/checkout@v4
+      with:
+        repository: lammps/lammps
+        ref: ${{ env.LAMMPS_RELEASE }}
+        path: lammps
+
+    - name: Copy OCTP files to LAMMPS src directory
+      run: |
+        cp --verbose octp/src/* lammps/src/
+
+    - name: Install OpenMPI in runner
+      run: |
+        sudo apt-get install openmpi-bin openmpi-common openmpi-doc libopenmpi-dev
+        echo "mpi version"
+        mpicc --showme:version
+
+    - name: Build LAMMPS with OCTP plugin
+      run: |
+        cd lammps/src
+        make yes-asphere
+        make yes-body
+        make yes-class2
+        make yes-dipole
+        make yes-granular
+        make yes-kspace
+        make yes-manybody
+        make yes-molecule
+        make yes-rigid
+        make yes-shock
+        make -j 8 mpi
+        if ! [ -f lmp_mpi ]; then
+          echo "::error:: lammps binary does not exist"
+          exit 1
+        fi

.gitignore

@@ -2,4 +2,25 @@
 # This .gitignore file was automatically created by Microsoft(R) Visual Studio.
 ################################################################################
 
-/.vs
+# visual studio code settings
+.vs*/
+
+# Precompiled Headers
+*.gch
+*.pch
+
+# Compiled Object files
+*.o
+*.obj
+
+# Compiled Dynamic libraries
+*.so
+*.dll
+
+# Compiled Static libraries
+*.a
+*.lib
+
+# Executables
+*.exe
+*.out