build:optpkgs
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build:optpkgs [2017/05/25 10:26] Matthieu Verstraete |
build:optpkgs [2020/08/10 12:22] (current) Xavier Gonze [YAML] |
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| You can download AtomPAW from its [[http://users.wfu.edu/natalie/papers/pwpaw/man.html|Wake Forest University project page]]. | You can download AtomPAW from its [[http://users.wfu.edu/natalie/papers/pwpaw/man.html|Wake Forest University project page]]. | ||
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| - | Our [[build:install_atompaw|Installing AtomPAW]] page will give you useful instructions to install AtomPAW properly and make it work with Abinit. | ||
| //Please note that AtomPAW depends on [[build:minreq#linear_algebra|linear algebra]] and [[build:minreq#libxc|LibXC]], which must be installed before.// | //Please note that AtomPAW depends on [[build:minreq#linear_algebra|linear algebra]] and [[build:minreq#libxc|LibXC]], which must be installed before.// | ||
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| Our [[build:install_bigdft|Installing BigDFT]] page will give you useful instructions to install BigDFT properly and make it work with Abinit. | Our [[build:install_bigdft|Installing BigDFT]] page will give you useful instructions to install BigDFT properly and make it work with Abinit. | ||
| - | //Please note that BigDFT requires [[build:minreq#linear_algebra|linear algebra]] and also depends on [[build:minreq#etsf_io|ETSF_IO]] and [[build:minreq#libxc|LibXC]], which must be installed before.// | + | //Please note that BigDFT requires [[build:minreq#linear_algebra|linear algebra]] and also depends on [[build:minreq#libxc|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 [[http://yambo-code.org/|Yambo]]. | ||
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| - | You can download ETSF_IO from: | ||
| - | * the [[http://www.etsf.eu/resources/software/libraries_and_tools|Libraries and Tools]] page of the [[http://www.etsf.eu/|ETSF website]]; | ||
| - | * its [[https://launchpad.net/etsf-io|Launchpad project page]]. | ||
| - | |||
| - | Our [[build:install_etsf_io|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 [[build:minreq#netcdf|NetCDF]], which must be installed before.// | ||
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| - | ===== GSL ===== | ||
| - | |||
| - | GSL is the GNU Scientific Library, and implements many mathematical algorithms, optimization, minimization etc... Some of these features can be used by ABINIT if GSL is linked at make time. | ||
| - | |||
| - | You can download the GSL from the [[http://www.gnu.org/software/gsl/|GNU website]] or your [[http://ftpmirror.gnu.org/gsl/|nearest mirror]]. | ||
| - | |||
| - | Our [[build:install_gsl|Installing GSL]] page will give you useful instructions to install the GSL properly and make it work with Abinit. | ||
| ===== Levmar ===== | ===== Levmar ===== | ||
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| You can download Levmar from its [[http://users.ics.forth.gr/~lourakis/levmar/|FORTH-ICS page]]. | You can download Levmar from its [[http://users.ics.forth.gr/~lourakis/levmar/|FORTH-ICS page]]. | ||
| - | |||
| - | Our [[build:install_levmar|Installing Levmar]] page will give you useful instructions to install Levmar properly and make it work with Abinit. | ||
| ===== Libpspio ===== | ===== Libpspio ===== | ||
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| You can download Libpspio from its [[https://launchpad.net/libpspio|Launchpad project page]] and soon from its [[http://esl.cecam.org/mediawiki/index.php/Libpspio|ESL wiki page]]. | You can download Libpspio from its [[https://launchpad.net/libpspio|Launchpad project page]] and soon from its [[http://esl.cecam.org/mediawiki/index.php/Libpspio|ESL wiki page]]. | ||
| - | |||
| - | Our [[build:install_libpspio|Installing Libpspio]] page will give you useful instructions to install Libpspio properly and make it work with Abinit. | ||
| ===== PAPI ===== | ===== PAPI ===== | ||
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| You can download PAPI from its [[http://icl.cs.utk.edu/papi/|University of Tennessee page]]. | You can download PAPI from its [[http://icl.cs.utk.edu/papi/|University of Tennessee page]]. | ||
| - | |||
| - | Our [[build:install_papi|Installing PAPI]] page will give you useful instructions to install PAPI properly and make it work with Abinit. | ||
| ===== PSML ===== | ===== PSML ===== | ||
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| You can download PSML from its [[https://launchpad.net/libpsml|Launchpad project page]]. | You can download PSML from its [[https://launchpad.net/libpsml|Launchpad project page]]. | ||
| - | Our [[build:install_psml|Installing PSML]] page will give you useful instructions to install PSML properly and make it work with Abinit. | + | [TO BE SUPPRESSED, see Fallbacks]. Our [[build:install_psml|Installing PSML]] page will give you useful instructions to install PSML properly and make it work with Abinit. |
| ===== TRIQS ===== | ===== TRIQS ===== | ||
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| * the [[https://launchpad.net/wannier90|Launchpad project page]] for the patched version that works directly with Abinit. | * the [[https://launchpad.net/wannier90|Launchpad project page]] for the patched version that works directly with Abinit. | ||
| - | Our [[build:install_wannier90|Installing Wannier90]] page will give you useful instructions to install Wannier90 properly and make it work with Abinit. | + | [TO BE SUPPRESSED, see Fallbacks]. Our [[build:install_wannier90|Installing Wannier90]] page will give you useful instructions to install Wannier90 properly and make it work with Abinit. |
| //Please note that Wannier90 requires [[build:minreq#linear_algebra|linear algebra]], which must be installed before.// | //Please note that Wannier90 requires [[build:minreq#linear_algebra|linear algebra]], which must be installed before.// | ||
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| YAML is a human readable yet easy to parse file format, for some input and output files of ABINIT. | YAML is a human readable yet easy to parse file format, for some input and output files of ABINIT. | ||
| - | You can download YAML from the [[http://pyyaml.org/download/libyaml/|PyYAML repository]]. | + | Very often, it is available with your OS. However, if not, you can download YAML from the [[http://pyyaml.org/download/libyaml/|PyYAML repository]]. |
| - | + | ||
| - | Our [[build:install_yaml|Installing YAML]] page will give you useful instructions to install YAML properly and make it work with Abinit. | + | |
build/optpkgs.1495700804.txt.gz · Last modified: 2017/05/25 10:26 by Matthieu Verstraete
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