**************************************************************************************************** * * * aflow - STEFANO CURTAROLO Duke University 2003-2021 * * High-Throughput ab-initio Computing Project * * * **************************************************************************************************** LATEST VERSION OF THE EXECUTABLE: materials.duke.edu/AFLOW/xaflow LATEST VERSION OF THE README: materials.duke.edu/AFLOW/README_XAFLOW.TXT **************************************************************************************************** XAFLOW README: README written by: Corey Oses (corey.oses@duke.edu) **************************************************************************************************** INSTRUCTIONS: xaflow downloads and installs the newest version of AFLOW automatically. xaflow needs to be installed first before installing aflow. N.B. xaflow is a makefile. Installing xaflow (perform only once): 1. Download xaflow: wget materials.duke.edu/AFLOW/xaflow - Note that this may require you to first install wget on your machine, if it is not all already available. - On mac: brew install wget. - On linux: sudo apt-get install wget. 2. Move/copy xaflow somewhere in your path: mkdir ~/bin export PATH=~/bin:$PATH mv xaflow ~/bin/xaflow - Add the "export PATH=~/bin:$PATH" line to your ~/.bashrc so it always stays in your path. 3. Ensure the file can be executed: chmod 555 ~/bin/xaflow 4. Check that xaflow is in your path: which xaflow - A returned path means xaflow has been successfully installed. Installing aflow (perform with every new version): 1. Run xaflow: xaflow - xaflow downloads, unpacks, and makes AFLOW in ~/src/AFLOW. - The compilation can be redirected to another path: xaflow AWD=/home/src/AFLOW - If $(AWD) already exists, it will first move $(AWD) to $(AWD)_OLD. 2. Install the newly compiled executable to your path: xaflow install - By default, the executable is installed to ~/bin. - The installation can be redirected to another path: xaflow install ULB=/usr/local/bin - As with all makefiles, the AWD and ULB variables can be set simultaneously: xaflow install AWD=/home/src/AFLOW ULB=/usr/local/bin 3. Check that aflow is in your path: which aflow - A returned path means aflow has been successfully installed. 4. Run aflow: aflow **************************************************************************************************** For additional information contact: Stefano Curtarolo (stefano@duke.edu) or Corey Oses (corey.oses@duke.edu) **************************************************************************************************** * * * aflow - STEFANO CURTAROLO Duke University 2003-2021 * * High-Throughput ab-initio Computing Project * * * ****************************************************************************************************