Differences

This shows you the differences between two versions of the page.

--- build:optpkgs [2017/05/23 12:20] – Matthieu Verstraete
+++ build:optpkgs [2020/08/10 12:22] (current) – [YAML] Xavier Gonze
@@ Line 2: / Line 2: @@
 ===== 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 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) created by Prof Nathalie Holzwarth and developed in close collaboration with the ABINIT team. It is the reference package to generate datasets for ABINIT, but several others can be used as well.
 You can download AtomPAW from its [[http://users.wfu.edu/natalie/papers/pwpaw/man.html|Wake Forest University project page]].
-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:extdeps#linear_algebra|linear algebra]] and [[build:extdeps#libxc|LibXC]], which must be installed before.//
 <WRAP tip>**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.</WRAP>
@@ Line 23: / Line 22: @@
 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:extdeps#linear_algebra|linear algebra]] and also depends on [[build:extdeps#etsf_io|ETSF_IO]] and [[build:extdeps#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]].
-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:extdeps#netcdf|NetCDF]], which must be installed before.//
-===== 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 =====
@@ Line 51: / Line 32: @@
 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 =====
-===== LibXC =====
+Libpspio is a library for interchange (input and output) of different pseudopotential file formats. It supports a number of them for many different codes.
-LibXC is a library implementing almost all known exchange correlation functionals. It is almost a strict requirement for abinit usage - you gain access to many xc approximations, metaGGAs and so on: you want this.
+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 LibXC from its [[http://www.tddft.org/programs/octopus/wiki/index.php/Libxc|Octopus wiki page]].
-Our [[build:install_libxc|Installing LibXC]] page will give you useful instructions to install LibXC properly and make it work with Abinit.
-===== NetCDF =====
-NetCDF is a binary portable file format used for many outputs of abinit. It is strongly recommended to use it for portability, flexibility, and inter-operability with other codes and post-processing tools, e.g. [[https://github.com/abinit/abipy|abipy]]. NetCDF4/HDF5 will soon be a requirement (2017?) and NetCDF 3 deprecated.
-You can download NetCDF from its [[http://www.unidata.ucar.edu/software/netcdf/|Unidata page]].
-Our [[build:install_netcdf|Installing NetCDF]] page will give you useful instructions to install NetCDF properly and make it work with Abinit.
 ===== PAPI =====
@@ Line 74: / Line 43: @@
 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 =====
@@ Line 83: / Line 50: @@
 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 =====
@@ Line 101: / Line 68: @@
   * 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:extdeps#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.//
 <WRAP important>**Warning!** \\ The pristine version of Wannier90 has some bugs and must be patched to work with Abinit. If you decide to use it, please download our patches from the [[build:install_wannier90|Installing Wannier90]] page.</WRAP>
@@ Line 111: / Line 78: @@
 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.
-===== 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://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.