Merge pull request #104 from efposadac/moreEasyIssues #74
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| 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 | |
| # 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 | |