makefile.yml

name: Makefile CI

on:
  push:
    branches: [ "master", "apmo-nc-2", "apmo-nc-3" ]
  pull_request:
    branches: [ "master", "apmo-nc-2", "apmo-nc-3" ]
  workflow_dispatch:
  
jobs:
  build:
    name: Compiles and Tests Lowdin
    runs-on: ubuntu-latest
    steps:
    - uses: actions/checkout@v3
    - name: Compile and install dependencies
      run: |
        sudo apt-get update
        sudo apt-get -y install wget git build-essential liblapack-dev libblas-dev libgsl0-dev autotools-dev automake libtool gfortran python2 gawk libeigen3-dev libgmp-dev libboost-all-dev libarpack2-dev libopenblas-dev
        # Define ENV Variables
        export WORKDIR=$PWD/dependencies
        export PATH=$PATH:$WORKDIR/bin
        export C_INCLUDE_PATH=$C_INCLUDE_PATH:$WORKDIR/include:$WORKDIR/include/libint2:/usr/include/eigen3
        export CPLUS_INCLUDE_PATH=$CPLUS_INCLUDE_PATH:$WORKDIR/include:$WORKDIR/include/libint2:/usr/include/eigen3
        export LIBRARY_PATH=$LIBRARY_PATH:$WORKDIR/lib
        export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$WORKDIR/lib
        # Create work directories
        mkdir $WORKDIR
        mkdir $WORKDIR/bin
        mkdir $WORKDIR/lib
        cd $WORKDIR
        # Install Libint2
        # wget https://www.dropbox.com/s/f34pbzmvcoms000/libint2.0-beta-codeship.tgz # minimal G12, fPIC, old distro
        # wget https://www.dropbox.com/s/0e6ov2fxo7pdafb/libint2.0-beta-full.tgz # full G12, no fPIC, new distro
        # wget https://www.dropbox.com/s/tzmqzt3n0trpayf/libint2.0-beta.tgz # minimal G12, fPIC, new distro
        wget https://www.dropbox.com/s/d3d44j238lkfwcr/libint-master-SEP052019.tgz # minimal (default am), G12, fPIC, new distro, gcc 9.1.0, Linux Kernel 5.2.9, libint2 commit 668b10c4bdca5876984058742d4212675eb93f3f
        tar xzvf libint-master-SEP052019.tgz
        cd -
        # Build libint1
        git clone https://github.com/evaleev/libint.git
        cd libint
        git checkout v1
        aclocal -I lib/autoconf
        autoconf
        ./configure --prefix=$WORKDIR
        make -j 4
        make install
        make clean
        make distclean
        cd -
        # Build libxc
        #git clone https://gitlab.com/libxc/libxc.git
        #cd libxc
        #git checkout 4bd0e1e36347c6d0a4e378a2c8d891ae43f8c951
        #autoreconf -i
        #./configure --enable-shared --prefix=$WORKDIR
        #make -j 4
        #make install
        cd $WORKDIR        
        wget https://www.dropbox.com/s/6cja3zzhl1cq46i/libxc-master-MAY242023.tgz # default options,libxc commit 4bd0e1e36347c6d0a4e378a2c8d891ae43f8c951
        tar xzvf libxc-master-MAY242023.tgz
        cd ..
        # Configure Lowdin
        ./configure -p $WORKDIR/bin -s /tmp -l "-lblas -llapack -larpack"
        # Build Lowdin
        make -j 4
        # Install Lowdin
        make install
        # Run Tests
        make test