How to build

How to build the code

1) Follow your system prerequisites (below) 2) Clone ALaDyn from this repository, or download a stable release

git clone https://github.com/ALaDyn/ALaDyn.git
cd ALaDyn

3) Use the best script depending to your configuration. There are many examples inside scripts/build. For example:

./scripts/build/cmake.generic

Note that some scripts only work in a specific environment or shell.
We support running ALaDyn only on x86-64 CPUs, with 64 bit operating systems.

Prerequisites

Ubuntu

1) Open a Bash terminal and type the following commands

sudo apt-get update
sudo apt-get dist-upgrade
sudo apt-get install -y g++ gfortran cmake make git ninja-build libboost-all-dev libopenmpi-dev pkgconf libfftw3-dev pkg-config

macOS

1) If not already installed, install the XCode Command Line Tools, typing this command in a terminal:

xcode-select --install

2) If not already installed, install Homebrew following the official guide. 3) Open the terminal and type these commands

brew update
brew upgrade
brew install gcc cmake make git ninja boost open-mpi fftw pkg-config

Windows (7+) - PGI Compiler

1) Install Visual Studio 2017 from the official website 2) Open your Powershell with Administrator privileges, type the following command and confirm it:

PS \>                 Set-ExecutionPolicy unrestricted

3) If not already installed, please install chocolatey using the official guide 4) If you are not sure about having them updated, or even installed, please install git, javaruntime, cmake and an updated Powershell. To do so, open your Powershell with Administrator privileges and type

PS \>                 cinst -y git cmake powershell javaruntime

5) Restart the PC if required by chocolatey after the latest step 6) Install PGI 18.10 from the official website (the community edition is enough and is free; NOTE: install included MS-MPI, but avoid JRE and Cygwin). Note that for some time it was necessary to activate license for PGI 18.10 Community Edition (renaming the file %PROGRAMFILES%\PGI\license.dat-COMMUNITY-18.10 to %PROGRAMFILES%\PGI\license.dat) 7) Define a work folder, which we will call WORKSPACE in this tutorial: this could be a "Code" folder in our home, a "cpp" folder on our desktop, whatever you want. Create it if you don't already have, using your favourite method (mkdir in Powershell, or from the graphical interface in explorer). We will now define an environment variable to tell the system where our folder is. Please note down its full path. Open a Powershell (as a standard user) and type

PS \>                 rundll32 sysdm.cpl,EditEnvironmentVariables

8) In the upper part of the window that pops-up, we have to create a new environment variable, with name WORKSPACE and value the full path noted down before. If it not already in the PATH (this is possible only if you did it before), we also need to modify the "Path" variable adding the following string (on Windows 10 you need to add a new line to insert it, on Windows 7/8 it is necessary to append it using a ; as a separator between other records):

                      %PROGRAMFILES%\CMake\bin

9) If vcpkg is not installed, please follow the next procedure, otherwise please jump to #11

PS \>                 cd $env:WORKSPACE
PS Code>              git clone https://github.com/Microsoft/vcpkg.git
PS Code>              cd vcpkg
PS Code\vcpkg>        .\bootstrap-vcpkg.bat

10) Open a Powershell with Administrator privileges and type

PS \>                 cd $env:WORKSPACE
PS Code>              cd vcpkg
PS Code\vcpkg>        .\vcpkg integrate install

11) Open a Powershell (as a standard user) and type (the last command requires a confirmation and is used to clean up unnecessary files). Note: do NOT install msmpi from vcpkg because it will be preferred from the one included in PGI and it is incompatible with PGI compiler

PS \>                 cd $env:WORKSPACE
PS Code>              cd vcpkg
PS Code\vcpkg>        .\vcpkg install fftw3:x64-windows
PS Code\vcpkg>        rmdir .\buildtrees\
PS Code\vcpkg>        cd $env:WORKSPACE
PS Code>              git clone https://github.com/ALaDyn/ALaDyn

12) Open a Powershell and build ALaDyn using the scripts\build\cmake.win.ps1 script

PS \>                 cd $env:WORKSPACE
PS Code>              cd ALaDyn
PS Code\ALaDyn>       .\scripts\build\cmake.win.ps1

13) You may have to manually copy the fftw3.dll from the vcpkg folder to the install folder

PS \>                 cd $env:WORKSPACE
PS Code>              cd ALaDyn
PS Code\ALaDyn>       cp $env:WORKSPACE\vcpkg\installed\x64-windows\bin\fftw3.dll .\bin\

Note: in case you need to re-download a compatible MS-MPI runtime, please use this link MS-MPI Redistributable 2012 R2 v4.2.4400.0; in case you need to re-download a compatible MS-MPI Client Utilities, please use this link MS-MPI CU 2012 R2 v4.2.4400.0; in case you need to re-download a compatible MS-MPI SDK, please use this link MS-MPI SDK 2012 R2 v4.2.4400.0

Upgrade software

1) To update software installed with Chocolatey, open a Powershell with Administrator privileges and type

PS \>                 cup all -y

2) To update libraries installed with vcpkg, open a Powershell (as a standard user), type these commands and follow on-screen instructions

PS \>                 cd $env:WORKSPACE
PS Code>              cd vcpkg
PS Code>              git pull
PS Code>              .\bootstrap-vcpkg.bat
PS Code>              .\vcpkg update
PS Code>              .\vcpkg upgrade --no-dry-run

Cygwin

1) If not already installed, please install chocolatey using the official guide 2) Open a Powershell with Administrator privileges and type

PS \>                 cinst -y cygwin

3) Open a Powershell (as a standard user) and type

PS \>                 Invoke-WebRequest https://cygwin.com/setup-x86_64.exe -OutFile $env:WORKSPACE\cygwin-setup.exe
PS \>                 cd $env:WORKSPACE
PS Code>              .\cygwin-setup --quiet-mode --no-shortcuts --no-startmenu --no-desktop --upgrade-also --packages gcc-g++,libopenmpi-devel,gcc-fortran,cmake,fftw3,libfftw3-devel,libboost-devel,zlib-devel,pkg-config