Install Yambo on MacOS (ARM) - Revision history

Daniele at 14:19, 1 May 2025

2025-05-01T14:19:43Z

← Older revision		Revision as of 14:19, 1 May 2025
Line 30:		Line 30:
	gcc-aarch64-embedded 12.2.rel1		gcc-aarch64-embedded 12.2.rel1

	Note ~~that ta moment version~~ 7.0.0 of libxc is not supported. ~~So it~~ is ~~suggested~~ to install version 6.2.2 by ~~downloading the old~~ formula ~~of the package~~ or ~~avoid indicating~~ the --with-libxc-path~~=$OPT/~~libxc ~~command in the~~		'''Note:''' Version 7.0.0 of libxc is currently not supported. It is recommended to either install version 6.2.2 by using an older package formula, or omit the ''--with-libxc-path'' option during configuration, allowing Yambo to compile libxc automatically.

	==== Installing YAMBO ====		==== Installing YAMBO ====

Daniele: /* Preparing of the development environment */

2025-05-01T14:17:48Z

Preparing of the development environment

← Older revision		Revision as of 14:17, 1 May 2025
Line 30:		Line 30:
	gcc-aarch64-embedded 12.2.rel1		gcc-aarch64-embedded 12.2.rel1

	Note that ta moment version 7.0.0 of libxc is not supported. So it is suggested to install version 6.2.2 by downloading the old formula of the package or avoid indicating		Note that ta moment version 7.0.0 of libxc is not supported. So it is suggested to install version 6.2.2 by downloading the old formula of the package or avoid indicating the --with-libxc-path=$OPT/libxc command in the

	==== Installing YAMBO ====		==== Installing YAMBO ====

Daniele: /* Preparing of the development environment */

2025-05-01T14:17:12Z

Preparing of the development environment

← Older revision		Revision as of 14:17, 1 May 2025
Line 29:		Line 29:
	scalapack 2.2.0_1		scalapack 2.2.0_1
	gcc-aarch64-embedded 12.2.rel1		gcc-aarch64-embedded 12.2.rel1

			Note that ta moment version 7.0.0 of libxc is not supported. So it is suggested to install version 6.2.2 by downloading the old formula of the package or avoid indicating

	==== Installing YAMBO ====		==== Installing YAMBO ====

Nicolaspallanzani at 11:04, 12 December 2024

2024-12-12T11:04:47Z

← Older revision		Revision as of 11:04, 12 December 2024
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	In order to install YAMBO on Mac with ARM architecture, it is first necessary to set up a development environment on the target computer. At a minimum, this requires Fortran and C/C++ compilers suitable for compiling code on ARM architectures, such as the GNU Compiler Collection (GCC). HomeBrew, a package manager for macOS (or Linux), can be used to install the compilers and some of the libraries needed. For libraries not available in the HomeBrew repository or those that did not meet the necessary requirements, the installation can be handled by the automated procedure developed within YAMBO itself.		In order to install YAMBO on a Mac computer with ARM architecture, it is first necessary to set up a development environment on the target computer. At a minimum, this requires Fortran and C/C++ compilers suitable for compiling code on ARM architectures, such as the GNU Compiler Collection (GCC). HomeBrew, a package manager for macOS (or Linux), can be used to install the compilers and some of the libraries needed. For libraries not available in the HomeBrew repository or those that did not meet the necessary requirements, the installation can be handled by the automated procedure developed within YAMBO itself.

	==== Preparing of the development environment ====		==== Preparing of the development environment ====

Nicolaspallanzani: Created page with "In order to install YAMBO on Mac with ARM architecture, it is first necessary to set up a development environment on the target computer. At a minimum, this requires Fortran and C/C++ compilers suitable for compiling code on ARM architectures, such as the GNU Compiler Collection (GCC). HomeBrew, a package manager for macOS (or Linux), can be used to install the compilers and some of the libraries needed. For libraries not available in the HomeBrew repository or those tha..."

2024-12-12T11:03:46Z

Created page with "In order to install YAMBO on Mac with ARM architecture, it is first necessary to set up a development environment on the target computer. At a minimum, this requires Fortran and C/C++ compilers suitable for compiling code on ARM architectures, such as the GNU Compiler Collection (GCC). HomeBrew, a package manager for macOS (or Linux), can be used to install the compilers and some of the libraries needed. For libraries not available in the HomeBrew repository or those tha..."

New page

In order to install YAMBO on Mac with ARM architecture, it is first necessary to set up a development environment on the target computer. At a minimum, this requires Fortran and C/C++ compilers suitable for compiling code on ARM architectures, such as the GNU Compiler Collection (GCC). HomeBrew, a package manager for macOS (or Linux), can be used to install the compilers and some of the libraries needed. For libraries not available in the HomeBrew repository or those that did not meet the necessary requirements, the installation can be handled by the automated procedure developed within YAMBO itself.

==== Preparing of the development environment ====

The software HomeBrew needs to be installed first:

/bin/bash -c "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/HEAD/install.sh)"

And to install the compiler and the libraries is possible to use these commands:

brew install gcc
brew install open-mpi
brew install openblas fftw libxc
brew install hdf5 netcdf netcdf-fortran

In a first test machine (MacBook Air M1, macOS Sonoma v14.6.1) this is a partial list of the installed packages and versions:

% brew list --versions
[...]
cmake 3.26.4
fftw 3.3.10_1
gcc 14.2.0_1
hdf5 1.14.4.3
libxc 6.2.0
netcdf 4.9.2_2
netcdf-fortran 4.6.1_1
open-mpi 5.0.5
openblas 0.3.28
scalapack 2.2.0_1
gcc-aarch64-embedded 12.2.rel1

==== Installing YAMBO ====

The features required to compile YAMBO on ARM architectures will be publicly released in the next version, 5.3.
Nevertheless, you can already experiment with the installation using the tech-master development branch of the official GitHub code repository:

git clone https://github.com/yambo-code/yambo.git
cd yambo
git checkout tech-master

Finally YAMBO can be successfully compiled with the following configuration:

export OMPI_CC=/opt/homebrew/bin/gcc-14
OPT=/opt/homebrew/opt
./configure \
CC=gcc-14 \
CPP="gcc-14 -E -P" \
MPICC=mpicc \
FC=gfortran-14 \
F77=gfortran-14 \
FPP="gfortran-14 -E -P" \
MPIFC=mpifort \
--enable-mpi \
--enable-open-mp \
--disable-hdf5-par-io \
--enable-time-profile \
--enable-memory-profile \
--enable-msgs-comps \
--with-blas-libs="-L$OPT/openblas/lib -lopenblas" \
--with-lapack-libs="-L$OPT/openblas/lib -lopenblas" \
--with-libxc-path=$OPT/libxc \
--with-fft-path=$OPT/fftw \
--with-hdf5-path=$OPT/hdf5 \
--with-netcdf-path=$OPT/netcdf \
--with-netcdff-path=$OPT/netcdf-fortran \
--enable-par-linalg \
--with-scalapack-libs="-L$OPT/scalapack/lib -lscalapack" \
--with-blacs-libs="-L$OPT/scalapack/lib -lscalapack" \
--enable-slepc-linalg \
--with-extlibs-path=$HOME/opt/ext-libs
make -j4 all

gcc-14 and gfortran-14 can be substituted with the compiler version used, see below how to check the version of the packages installed with HomeBrew.

==== Troubleshooting: ====

An issue was identified with the mpicc wrapper. It was expected to use the gcc-14 C compiler internally; however, it was found to be using the Apple Clang compiler instead:

mpicc -show
clang -I/opt/homebrew/Cellar/open-mpi/5.0.5/include -L/opt/homebrew/Cellar/open-mpi/5.0.5/lib -lmpi

The issue was solved using the OMPI_CC environment variable to specify the C compiler:

export OMPI_CC=/opt/homebrew/bin/gcc-14
mpicc --show
/opt/homebrew/bin/gcc-14 -I/opt/homebrew/Cellar/open-mpi/5.0.5/include -L/opt/homebrew/Cellar/open-mpi/5.0.5/lib -lmpi