diff --git a/ElMD/ElMD.py b/ElMD/ElMD.py index 1ca1af7..9e3b84b 100644 --- a/ElMD/ElMD.py +++ b/ElMD/ElMD.py @@ -23,7 +23,7 @@ __copyright__ = "2019, Cameron Hargreaves" __credits__ = ["https://github.com/Zapaan", "Loïc Séguin-C. ", "https://github.com/Bowserinator/"] __license__ = "GPL" -__version__ = "0.4.16" +__version__ = "0.4.20" __maintainer__ = "Cameron Hargreaves" ''' diff --git a/ElMD/__init__.py b/ElMD/__init__.py index 9b7b09c..f6757d6 100644 --- a/ElMD/__init__.py +++ b/ElMD/__init__.py @@ -1,2 +1,3 @@ """Implementation of Element movers distance for chemical similarity compositions.""" -__version__ = "0.4.15" +__version__ = "0.4.20" +from ElMD.ElMD import EMD, ElMD diff --git a/ElMD/test_ElMD.py b/ElMD/test_ElMD.py index a72a7c2..cc65d1c 100644 --- a/ElMD/test_ElMD.py +++ b/ElMD/test_ElMD.py @@ -1,7 +1,7 @@ """Basic tests taken from docs (assuming that docs are correct).""" from numpy.testing import assert_almost_equal, assert_allclose -from ElMD.ElMD import ElMD +from ElMD import ElMD def test_ElMD(): x = ElMD("CaTiO3") diff --git a/setup.py b/setup.py index e9c4717..5026e3f 100644 --- a/setup.py +++ b/setup.py @@ -3,13 +3,13 @@ setup( name = 'ElMD', packages = ['ElMD'], - version = '0.4.17', + version = '0.4.20', license='GPL3', description = 'An implementation of the Element movers distance for chemical similarity of ionic compositions', author = 'Cameron Hagreaves', author_email = 'cameron.h@rgreaves.me.uk', url = 'https://github.com/lrcfmd/ElMD/', - download_url = 'https://github.com/lrcfmd/ElMD/archive/v0.4.17.tar.gz', + download_url = 'https://github.com/lrcfmd/ElMD/archive/v0.4.20.tar.gz', keywords = ['ChemInformatics', 'Materials Science', 'Machine Learning', 'Materials Representation'], package_data={"elementFeatures": ["el_lookup/*.json"]}, include_package_data=True,