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Plane-wave density-functional theory code

An integrated suite of open-source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. This package will build pw, pp, ld1, xspectra, cp, and ph.

Version: 6.6 License: GPL-2

GitHub

Maintainers	dstrubbe
Categories	science
Homepage	http://www.quantum-espresso.org
Platforms	darwin
Variants	accelerate (Build with linear algebra from built-in Accelerate framework) atlas (Build with linear algebra from ATLAS) blis (Build with linear algebra from BLIS) clang13 (Build using the MacPorts clang 13 compiler) clang14 (Build using the MacPorts clang 14 compiler) clang15 (Build using the MacPorts clang 15 compiler) clang16 (Build using the MacPorts clang 16 compiler) clang17 (Build using the MacPorts clang 17 compiler) clang18 (Build using the MacPorts clang 18 compiler) clang19 (Build using the MacPorts clang 19 compiler) clang20 (Build using the MacPorts clang 20 compiler) clang21 (Build using the MacPorts clang 21 compiler) clang22 (Build using the MacPorts clang 22 compiler) flexiblas (Build with linear algebra from FlexiBLAS) gcc10 (Build using the MacPorts gcc 10 compiler) gcc11 (Build using the MacPorts gcc 11 compiler) gcc12 (Build using the MacPorts gcc 12 compiler) gcc13 (Build using the MacPorts gcc 13 compiler) gcc14 (Build using the MacPorts gcc 14 compiler) gcc15 (Build using the MacPorts gcc 15 compiler) gfortran (Build using the MacPorts gcc 15 Fortran compiler) mpich (Build using the MPICH compiler) openblas (Build with linear algebra from OpenBLAS) openmpi (Build using the OpenMPI compiler) scalapack (Build with ScaLAPACK for parallel linear algebra) universal (Build for multiple architectures)

"quantum-espresso" depends on

lib (5)

OpenBLAS

fftw-3

libgcc

mpich-clang18

scalapack

build (5)

autoconf

automake

clang-18

gcc15

libtool

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