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Add bibtex entries
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@ -1,6 +1,9 @@
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language: python
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cache: pip
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#dist: precise
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sudo: false
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env:
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global:
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- ABINIT_VERSION=8.8.2
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@ -30,12 +33,9 @@ matrix:
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env:
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- ABIPY_INSTALLER=pip
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#dist: precise
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sudo: false
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install:
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#- sudo apt-get update
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- env
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#- set -ev # exit on first error, print each command
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- env
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- ulimit -s unlimited
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- |
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@ -1,5 +1,5 @@
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#!/bin/bash
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set -e # exit on first error, print each command
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set -e # exit on first error
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#set -ev # exit on first error, print each command
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echo "PMG_MAPI_KEY: 8pkvwRLQSCVbW2Fe" > ${HOME}/.pmgrc.yaml
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@ -15,7 +15,7 @@ the latest **stable** release that can be installed with::
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pip install abipy
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Note that you may need to install pymatgen_ and other critical dependencies manually.
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In this case, please consult the detailed installation instructions provided by the
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In this case, please consult the detailed installation instructions provided in the
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`pymatgen howto <http://pymatgen.org/index.html#standard-install>`_ to install pymatgen
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and then follow the instructions in the :ref:`netcdf4_installation` section.
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@ -92,7 +92,7 @@ To install the pymatgen_ package from the matsci_ channel, use::
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then install Abipy from the abinit-channel_ with::
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conda install pymatgen --channel abinit
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conda install abipy --channel abinit
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Visit `materials.sh <http://materials.sh>`_ for instructions on how to use the
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matsci channel to install pymatgen and other packages.
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@ -141,7 +141,7 @@ This will allow you to push any changes to you own fork and also get them merged
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The documentation of the **developmental** version is hosted on `github pages <http://abinit.github.io/abipy>`_.
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The Github version include test files for complete unit testing.
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To run the suite of unit tests, make sure you have pytest_ installed and then type::
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To run the suite of unit tests, make sure you have pytest_ installed and issue::
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pytest
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@ -278,3 +278,51 @@
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year = {1997},
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month = apr,
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}
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@article{Maintz2016,
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author = {Maintz, Stefan and Deringer, Volker L. and Tchougréeff, Andrei L. and Dronskowski, Richard},
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doi = {10.1002/jcc.24300},
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number = {11},
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pages = {1030-1035},
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source = {Crossref},
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url = {http://dx.doi.org/10.1002/jcc.24300},
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volume = {37},
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journal = {J. Comput. Chem.},
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publisher = {Wiley},
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title = {{LOBSTER:} {A} tool to extract chemical bonding from plane-wave based {DFT}},
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subtitle = {Tool to Extract Chemical Bonding},
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issn = {0192-8651},
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year = {2016},
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month = feb,
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}
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@article{Mostofi2014,
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author = {Mostofi, Arash A. and Yates, Jonathan R. and Pizzi, Giovanni and Lee, Young-Su and Souza, Ivo and Vanderbilt, David and Marzari, Nicola},
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doi = {10.1016/j.cpc.2014.05.003},
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number = {8},
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pages = {2309-2310},
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source = {Crossref},
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url = {http://dx.doi.org/10.1016/j.cpc.2014.05.003},
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volume = {185},
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journal = {Computer Physics Communications},
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publisher = {Elsevier BV},
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title = {An updated version of wannier90: {A} tool for obtaining maximally-localised Wannier functions},
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issn = {0010-4655},
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year = {2014},
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month = aug,
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}
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@article{Setten2018,
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author = {van Setten, M.J. and Giantomassi, M. and Bousquet, E. and Verstraete, M.J. and Hamann, D.R. and Gonze, X. and Rignanese, G.-M.},
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doi = {10.1016/j.cpc.2018.01.012},
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pages = {39-54},
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source = {Crossref},
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url = {http://dx.doi.org/10.1016/j.cpc.2018.01.012},
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volume = {226},
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journal = {Comput. Phys. Commun.},
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publisher = {Elsevier BV},
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title = {The {PseudoDojo}: {Training} and grading a 85 element optimized norm-conserving pseudopotential table},
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issn = {0010-4655},
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year = {2018},
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month = may,
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}
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