diff --git a/.travis.yml b/.travis.yml index cf64103c..61a3b72f 100644 --- a/.travis.yml +++ b/.travis.yml @@ -1,6 +1,9 @@ language: python cache: pip +#dist: precise +sudo: false + env: global: - ABINIT_VERSION=8.8.2 @@ -30,12 +33,9 @@ matrix: env: - ABIPY_INSTALLER=pip -#dist: precise -sudo: false install: - #- sudo apt-get update - - env #- set -ev # exit on first error, print each command + - env - ulimit -s unlimited - | diff --git a/dev_scripts/runtests.sh b/dev_scripts/runtests.sh index 42f55056..eec99ab5 100755 --- a/dev_scripts/runtests.sh +++ b/dev_scripts/runtests.sh @@ -1,5 +1,5 @@ #!/bin/bash -set -e # exit on first error, print each command +set -e # exit on first error #set -ev # exit on first error, print each command echo "PMG_MAPI_KEY: 8pkvwRLQSCVbW2Fe" > ${HOME}/.pmgrc.yaml diff --git a/docs/installation.rst b/docs/installation.rst index c8a8331c..aa05c980 100644 --- a/docs/installation.rst +++ b/docs/installation.rst @@ -15,7 +15,7 @@ the latest **stable** release that can be installed with:: pip install abipy Note that you may need to install pymatgen_ and other critical dependencies manually. -In this case, please consult the detailed installation instructions provided by the +In this case, please consult the detailed installation instructions provided in the `pymatgen howto `_ to install pymatgen and then follow the instructions in the :ref:`netcdf4_installation` section. @@ -92,7 +92,7 @@ To install the pymatgen_ package from the matsci_ channel, use:: then install Abipy from the abinit-channel_ with:: - conda install pymatgen --channel abinit + conda install abipy --channel abinit Visit `materials.sh `_ for instructions on how to use the matsci channel to install pymatgen and other packages. @@ -141,7 +141,7 @@ This will allow you to push any changes to you own fork and also get them merged The documentation of the **developmental** version is hosted on `github pages `_. The Github version include test files for complete unit testing. -To run the suite of unit tests, make sure you have pytest_ installed and then type:: +To run the suite of unit tests, make sure you have pytest_ installed and issue:: pytest diff --git a/docs/refs.bib b/docs/refs.bib index 96242062..42a3f9ae 100644 --- a/docs/refs.bib +++ b/docs/refs.bib @@ -278,3 +278,51 @@ year = {1997}, month = apr, } + +@article{Maintz2016, + author = {Maintz, Stefan and Deringer, Volker L. and Tchougréeff, Andrei L. and Dronskowski, Richard}, + doi = {10.1002/jcc.24300}, + number = {11}, + pages = {1030-1035}, + source = {Crossref}, + url = {http://dx.doi.org/10.1002/jcc.24300}, + volume = {37}, + journal = {J. Comput. Chem.}, + publisher = {Wiley}, + title = {{LOBSTER:} {A} tool to extract chemical bonding from plane-wave based {DFT}}, + subtitle = {Tool to Extract Chemical Bonding}, + issn = {0192-8651}, + year = {2016}, + month = feb, +} + +@article{Mostofi2014, + author = {Mostofi, Arash A. and Yates, Jonathan R. and Pizzi, Giovanni and Lee, Young-Su and Souza, Ivo and Vanderbilt, David and Marzari, Nicola}, + doi = {10.1016/j.cpc.2014.05.003}, + number = {8}, + pages = {2309-2310}, + source = {Crossref}, + url = {http://dx.doi.org/10.1016/j.cpc.2014.05.003}, + volume = {185}, + journal = {Computer Physics Communications}, + publisher = {Elsevier BV}, + title = {An updated version of wannier90: {A} tool for obtaining maximally-localised Wannier functions}, + issn = {0010-4655}, + year = {2014}, + month = aug, +} + +@article{Setten2018, + 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.}, + doi = {10.1016/j.cpc.2018.01.012}, + pages = {39-54}, + source = {Crossref}, + url = {http://dx.doi.org/10.1016/j.cpc.2018.01.012}, + volume = {226}, + journal = {Comput. Phys. Commun.}, + publisher = {Elsevier BV}, + title = {The {PseudoDojo}: {Training} and grading a 85 element optimized norm-conserving pseudopotential table}, + issn = {0010-4655}, + year = {2018}, + month = may, +}