update to v0.4.2

atomate/__init__.py

@@ -1,3 +1,3 @@
-__version__ = '0.4.1'
+__version__ = '0.4.2'
 
 from atomate.utils.utils import get_wf_from_spec_dict

docs/changelog.rst

@@ -2,14 +2,25 @@
 atomate Changelog
 ====================
 
+**v0.4.2**
+
+.. caution:: The ``tags_fws`` powerup now has different default parameters!
+
+* updates to piezo workflow (S. Dwaraknath)
+* formation energy to Ehull builder (A. Faghaninia)
+* tag_fws is more general (A. Faghaninia)
+* updates for PMG naming schemes for vars (A. Jain)
+* boltztrap runs can add tags (A. Faghaninia)
+* can filter which tasks are used in materials builder (A. Faghaninia, A. Jain)
+
 **v0.4.1**
 * more fixes for elastic workflow (J. Montoya)
 * more validation for VASP runs (A. Faghaninia)
 * more flexible ObjectId insertion (A. Faghaninia)
-* misc doc updates
+* misc doc updates (A. Jain)
 
 **v0.4**
-* rename of "MatMethods" to atomate(!)
+* rename of "MatMethods" to atomate(!) (A. Jain)
 * bulk modulus workflow and equation of state (K. Matthew)
 * add features to Gibbs workflows (K. Matthew)
 * elastic workflow updates (J. Montoya, K. Matthew)
@@ -35,25 +46,25 @@ atomate Changelog
 * Fixes to elastic workflow (J. Montoya)
 * Minor refactoring (K. Mathew)
 * Minor MD workflow updates (M. Aykol)
-* Fix builder for HSE gap and add chemsys
-* WF metadata powerup
+* Fix builder for HSE gap and add chemsys (A. Jain)
+* WF metadata powerup (A. Jain)
 * Minor bug fixes and misc. improvements (K. Mathew, J. Montoya, A. Faghaninia)
 
 **v0.2**
 
-* BoltzTraP transport workflows
+* BoltzTraP transport workflows (A. Jain)
 * major builder improvements (merge multiple collections, progressbar, config, more...)
-* use FrozenJobErrorHandler by default
-* add basic configuration overrides for preset workflows
-* misc improvements and bugfixes
+* use FrozenJobErrorHandler by default (A. Jain)
+* add basic configuration overrides for preset workflows (A. Jain)
+* misc improvements and bugfixes (A. Jain, K. Mathew)
 * py3 compatibility fixes (K. Mathew)
 
 **v0.1**
 
 * add some builders
 * elastic + piezo workflows (J. Montoya + S. Dwaraknath)
 * minor doc improvements (A. Faghaninia)
-* misc code improvements and bug fixes, plus upgrades for new pymatgen
+* misc code improvements and bug fixes, plus upgrades for new pymatgen (A. Jain)
 
 **v0.0.3**
 

setup.py

@@ -9,7 +9,7 @@
 if __name__ == "__main__":
     setup(
         name='atomate',
-        version='0.4.1',
+        version='0.4.2',
         description='atomate has implementations of FireWorks workflows for '
                     'Materials Science',
         long_description=open(os.path.join(module_dir, 'README.rst')).read(),