build:optpkgs
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build:optpkgs [2017/05/23 12:20] – Matthieu Verstraete | build:optpkgs [2020/08/10 12:17] – [AtomPAW] Xavier Gonze | ||
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===== Overview ===== | ===== Overview ===== | ||
+ | The following list includes plugin libraries which abinit can use to add features (DMFT, Wannier functions...) and interoperability (other pseudopotential formats...). They are listed in alphabetical order, not by order of importance. Several are available as fallbacks for abinit: see the options of the configure script for more details, and some links below on installation procedures. | ||
===== AtomPAW ===== | ===== AtomPAW ===== | ||
- | AtomPAW is a generation library for PAW atomic data sets (like pseudopotentials). It is the reference package to generate datasets for ABINIT, but several others can be used as well. | + | AtomPAW is a generation library for PAW atomic data sets (like pseudopotentials) |
You can download AtomPAW from its [[http:// | You can download AtomPAW from its [[http:// | ||
- | Our [[build: | + | //Please note that AtomPAW depends on [[build:minreq# |
- | + | ||
- | //Please note that AtomPAW depends on [[build:extdeps# | + | |
<WRAP tip> | <WRAP tip> | ||
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Our [[build: | Our [[build: | ||
- | //Please note that BigDFT requires [[build:extdeps# | + | //Please note that BigDFT requires [[build:minreq# |
===== ETSF_IO ===== | ===== ETSF_IO ===== | ||
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Our [[build: | Our [[build: | ||
- | //Please note that ETSF_IO depends on [[build:extdeps# | + | //Please note that ETSF_IO depends on [[build:minreq# |
===== GSL ===== | ===== GSL ===== | ||
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Our [[build: | Our [[build: | ||
- | ===== LibXC ===== | + | ===== Libpspio |
- | LibXC is a library | + | Libpspio |
- | You can download | + | You can download |
- | Our [[build:install_libxc|Installing | + | Our [[build:install_libpspio|Installing |
- | + | ||
- | ===== NetCDF ===== | + | |
- | + | ||
- | NetCDF is a binary portable file format used for many outputs of abinit. It is strongly recommended to use it for portability, | + | |
- | + | ||
- | You can download NetCDF from its [[http:// | + | |
- | + | ||
- | Our [[build: | + | |
===== PAPI ===== | ===== PAPI ===== | ||
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Our [[build: | Our [[build: | ||
- | //Please note that Wannier90 requires [[build:extdeps# | + | //Please note that Wannier90 requires [[build:minreq# |
<WRAP important> | <WRAP important> | ||
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Our [[build: | Our [[build: | ||
- | |||
- | ===== Libpspio ===== | ||
- | |||
- | Libpspio is a library for interchange (input and output) of different pseudopotential file formats. It supports a number of them for many different codes. | ||
- | |||
- | You can download Libpspio from its [[https:// | ||
- | |||
- | Our [[build: | ||
build/optpkgs.txt · Last modified: 2020/08/10 12:22 by Xavier Gonze