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build:optpkgs

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Optional packages

Overview

AtomPAW

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You can download AtomPAW from its Wake Forest University project page.

Our Installing AtomPAW page will give you useful instructions to install AtomPAW properly and make it work with Abinit.

Please note that AtomPAW depends on linear algebra and LibXC, which must be installed before.

Useful tip
AtomPAW is not necessary to build Abinit but will let you execute more test cases from the test suite and create your own PAW datasets.

BigDFT

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You can download BigDFT from its Home page.

Our Installing BigDFT page will give you useful instructions to install BigDFT properly and make it work with Abinit.

Please note that BigDFT requires linear algebra and also depends on ETSF_IO and LibXC, which must be installed before.

ETSF_IO

ETSF_IO is a Fortran library allowing the platform-independent storage and exchange of electronic-structure data. It is of great interest to restart a calculation on a different computer, as well as to perform multi-step calculations involving other software projects. Thanks to ETSF_IO, Abinit can for instance calculate the ground-state properties of a system and provide input data for a GW calculation with Yambo.

You can download ETSF_IO from:

Our Installing ETSF_IO page will give you useful instructions to install ETSF_IO properly and make it work with Abinit.

Please note that ETSF_IO depends on NetCDF, which must be installed before.

GSL

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You can download the GSL from the GNU website or your nearest mirror.

Our Installing GSL page will give you useful instructions to install the GSL properly and make it work with Abinit.

Levmar

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You can download Levmar from its FORTH-ICS page.

Our Installing Levmar page will give you useful instructions to install Levmar properly and make it work with Abinit.

Libpspio

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You can download Libpspio from its Launchpad project page and soon from its ESL wiki page.

Our Installing Libpspio page will give you useful instructions to install Libpspio properly and make it work with Abinit.

LibXC

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You can download LibXC from its Octopus wiki page.

Our Installing LibXC page will give you useful instructions to install LibXC properly and make it work with Abinit.

NetCDF

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You can download NetCDF from its Unidata page.

Our Installing NetCDF page will give you useful instructions to install NetCDF properly and make it work with Abinit.

PAPI

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You can download PAPI from its University of Tennessee page.

Our Installing PAPI page will give you useful instructions to install PAPI properly and make it work with Abinit.

PSML

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You can download PSML from its Launchpad project page.

Our Installing PSML page will give you useful instructions to install PSML properly and make it work with Abinit.

TRIQS

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You can download TRIQS from its CNRS page.

Our Installing TRIQS page will give you useful instructions to install TRIQS properly and make it work with Abinit.

Wannier90

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You can download Wannier90 from its home page.

Our Installing Wannier90 page will give you useful instructions to install Wannier90 properly and make it work with Abinit.

Please note that Wannier90 requires linear algebra, which must be installed before.

YAML

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You can download YAML from the PyYAML repository.

Our Installing YAML page will give you useful instructions to install YAML properly and make it work with Abinit.

build/optpkgs.1461166096.txt.gz · Last modified: 2016/04/20 17:28 by Yann Pouillon