From a2cfee5c7cad28e43b2756a4168959a92f4494dc Mon Sep 17 00:00:00 2001 From: Anubhav Jain Date: Sat, 23 Feb 2019 13:18:22 -0500 Subject: [PATCH] Update to v0.8.7 --- atomate/__init__.py | 2 +- docs/_sources/changelog.rst.txt | 4 ++++ docs/_sources/contributors.rst.txt | 2 +- docs/_static/documentation_options.js | 2 +- docs/atomate.common.firetasks.html | 6 +++--- docs/atomate.common.firetasks.tests.html | 6 +++--- docs/atomate.common.html | 6 +++--- docs/atomate.feff.firetasks.html | 6 +++--- docs/atomate.feff.firetasks.tests.html | 6 +++--- docs/atomate.feff.fireworks.html | 6 +++--- docs/atomate.feff.fireworks.tests.html | 6 +++--- docs/atomate.feff.html | 6 +++--- docs/atomate.feff.workflows.html | 6 +++--- docs/atomate.feff.workflows.tests.html | 6 +++--- docs/atomate.html | 6 +++--- docs/atomate.lammps.firetasks.html | 6 +++--- docs/atomate.lammps.fireworks.html | 6 +++--- docs/atomate.lammps.html | 6 +++--- docs/atomate.lammps.workflows.html | 6 +++--- docs/atomate.qchem.firetasks.html | 6 +++--- docs/atomate.qchem.firetasks.tests.html | 6 +++--- docs/atomate.qchem.fireworks.html | 6 +++--- docs/atomate.qchem.html | 6 +++--- docs/atomate.qchem.workflows.base.html | 6 +++--- docs/atomate.qchem.workflows.html | 6 +++--- docs/atomate.qchem.workflows.tests.html | 6 +++--- docs/atomate.tools.html | 6 +++--- docs/atomate.tools.post_process.html | 6 +++--- docs/atomate.tools.tests.html | 6 +++--- docs/atomate.utils.html | 6 +++--- docs/atomate.utils.tests.html | 6 +++--- docs/atomate.vasp.analysis.html | 6 +++--- docs/atomate.vasp.builders.examples.html | 6 +++--- docs/atomate.vasp.builders.html | 6 +++--- docs/atomate.vasp.examples.html | 6 +++--- docs/atomate.vasp.firetasks.html | 6 +++--- docs/atomate.vasp.firetasks.tests.html | 6 +++--- docs/atomate.vasp.fireworks.html | 6 +++--- docs/atomate.vasp.html | 6 +++--- docs/atomate.vasp.tests.html | 6 +++--- docs/atomate.vasp.workflows.base.html | 6 +++--- docs/atomate.vasp.workflows.html | 6 +++--- docs/atomate.vasp.workflows.presets.html | 6 +++--- docs/atomate.vasp.workflows.tests.html | 6 +++--- docs/builders.html | 6 +++--- docs/changelog.html | 10 +++++++--- docs/concepts.html | 6 +++--- docs/contributors.html | 8 ++++---- docs/creating_workflows.html | 6 +++--- docs/customizing_workflows.html | 6 +++--- docs/developer_installation.html | 6 +++--- docs/genindex.html | 6 +++--- docs/gibbs_workflow_tutorial.html | 6 +++--- docs/index.html | 6 +++--- docs/installation.html | 6 +++--- docs/license.html | 6 +++--- docs/modules.html | 6 +++--- docs/objects.inv | Bin 7477 -> 7477 bytes docs/py-modindex.html | 6 +++--- docs/running_workflows.html | 6 +++--- docs/search.html | 6 +++--- docs/searchindex.js | 2 +- docs/workflow_yaml_reference.html | 6 +++--- docs_rst/changelog.rst | 4 ++++ docs_rst/contributors.rst | 2 +- setup.py | 2 +- 66 files changed, 190 insertions(+), 178 deletions(-) diff --git a/atomate/__init__.py b/atomate/__init__.py index 12c9d608a..d1f5d670a 100644 --- a/atomate/__init__.py +++ b/atomate/__init__.py @@ -1 +1 @@ -__version__ = "0.8.6" \ No newline at end of file +__version__ = "0.8.7" \ No newline at end of file diff --git a/docs/_sources/changelog.rst.txt b/docs/_sources/changelog.rst.txt index 1804f1b95..ec752b158 100644 --- a/docs/_sources/changelog.rst.txt +++ b/docs/_sources/changelog.rst.txt @@ -2,6 +2,10 @@ atomate Changelog ================= +**v0.8.7** + +* store custodian data in its own key in FWAction (E. Sivonxay) + **v0.8.6** * add bandstructure no-opt workflow preset (A. Ganose) diff --git a/docs/_sources/contributors.rst.txt b/docs/_sources/contributors.rst.txt index 223b7f565..5452e7547 100644 --- a/docs/_sources/contributors.rst.txt +++ b/docs/_sources/contributors.rst.txt @@ -7,7 +7,7 @@ atomate development is led by the Hacking Materials research group led by Anubha Contributions are provided by: * Alireza Faghaninia, Alex Dunn, Alex Ganose, and Evan Spotte-Smith through the research group of A. Jain at LBNL. -* Kiran Mathew, Shyam Dwaraknath, Joey Montoya, Murat Aykol, Patrick Huck, Brandon Wood, Sam Blau, Jimmy Shen, and Anne Rutt through the research group of Prof. Kristin Persson at UC Berkeley. +* Kiran Mathew, Shyam Dwaraknath, Joey Montoya, Murat Aykol, Patrick Huck, Brandon Wood, Sam Blau, Jimmy Shen, Anne Rutt, and Eric Sivonxay through the research group of Prof. Kristin Persson at UC Berkeley. * Hanmei Tang, Prof. Shyue Ping Ong, and the Materials Virtual Lab research group at UC San Diego. * Brandon Bocklund, who led the atomate documentation effort, through the research group of Prof. Zi-Kiu Liu at Penn State. * Tess Smidt through the research group of Prof. Jeff Neaton at UC Berkeley. diff --git a/docs/_static/documentation_options.js b/docs/_static/documentation_options.js index 147685d35..5fd8844c4 100644 --- a/docs/_static/documentation_options.js +++ b/docs/_static/documentation_options.js @@ -1,6 +1,6 @@ var DOCUMENTATION_OPTIONS = { URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'), - VERSION: '0.8.6', + VERSION: '0.8.7', LANGUAGE: 'None', COLLAPSE_INDEX: false, FILE_SUFFIX: '.html', diff --git a/docs/atomate.common.firetasks.html b/docs/atomate.common.firetasks.html index 9378b7802..87ab49cbc 100644 --- a/docs/atomate.common.firetasks.html +++ b/docs/atomate.common.firetasks.html @@ -6,7 +6,7 @@ - atomate.common.firetasks package — atomate 0.8.6 documentation + atomate.common.firetasks package — atomate 0.8.7 documentation @@ -28,7 +28,7 @@

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\ No newline at end of file diff --git a/docs/workflow_yaml_reference.html b/docs/workflow_yaml_reference.html index 5fe5f1822..a1f98b40a 100644 --- a/docs/workflow_yaml_reference.html +++ b/docs/workflow_yaml_reference.html @@ -6,7 +6,7 @@ - Workflow YAML Reference — atomate 0.8.6 documentation + Workflow YAML Reference — atomate 0.8.7 documentation @@ -36,7 +36,7 @@

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    • @@ -237,7 +237,7 @@

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  • atomate 0.8.6 documentation »
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    • diff --git a/docs_rst/changelog.rst b/docs_rst/changelog.rst index 1804f1b95..ec752b158 100644 --- a/docs_rst/changelog.rst +++ b/docs_rst/changelog.rst @@ -2,6 +2,10 @@ atomate Changelog ================= +**v0.8.7** + +* store custodian data in its own key in FWAction (E. Sivonxay) + **v0.8.6** * add bandstructure no-opt workflow preset (A. Ganose) diff --git a/docs_rst/contributors.rst b/docs_rst/contributors.rst index 223b7f565..5452e7547 100644 --- a/docs_rst/contributors.rst +++ b/docs_rst/contributors.rst @@ -7,7 +7,7 @@ atomate development is led by the Hacking Materials research group led by Anubha Contributions are provided by: * Alireza Faghaninia, Alex Dunn, Alex Ganose, and Evan Spotte-Smith through the research group of A. Jain at LBNL. -* Kiran Mathew, Shyam Dwaraknath, Joey Montoya, Murat Aykol, Patrick Huck, Brandon Wood, Sam Blau, Jimmy Shen, and Anne Rutt through the research group of Prof. Kristin Persson at UC Berkeley. +* Kiran Mathew, Shyam Dwaraknath, Joey Montoya, Murat Aykol, Patrick Huck, Brandon Wood, Sam Blau, Jimmy Shen, Anne Rutt, and Eric Sivonxay through the research group of Prof. Kristin Persson at UC Berkeley. * Hanmei Tang, Prof. Shyue Ping Ong, and the Materials Virtual Lab research group at UC San Diego. * Brandon Bocklund, who led the atomate documentation effort, through the research group of Prof. Zi-Kiu Liu at Penn State. * Tess Smidt through the research group of Prof. Jeff Neaton at UC Berkeley. diff --git a/setup.py b/setup.py index aca6e7f7d..47461eeed 100644 --- a/setup.py +++ b/setup.py @@ -9,7 +9,7 @@ if __name__ == "__main__": setup( name='atomate', - version='0.8.6', + version='0.8.7', description='atomate has implementations of FireWorks workflows for ' 'Materials Science', long_description=open(os.path.join(module_dir, 'README.md')).read(),