From f4dd446c169599b75f0fd341caea54a34afa1785 Mon Sep 17 00:00:00 2001 From: __sp__ Date: Fri, 12 Sep 2014 15:57:14 -0700 Subject: [PATCH] v3.0.1 release Former-commit-id: 96c05624eb8ae3ba907a4b9e280f2c631747fda9 [formerly dee2e96af27fd06ab57e11f4498f1f558efef7dc] Former-commit-id: 50e0816876d1de756617d1383ff84d889f043b50 --- CHANGES.rst | 5 +++++ docs/change_log.rst | 5 +++++ docs/latest_changes.rst | 23 +++-------------------- docs/pymatgen.io.rst | 1 + pymatgen/__init__.py | 2 +- pymatgen/core/structure.py | 2 +- setup.py | 2 +- 7 files changed, 17 insertions(+), 23 deletions(-) diff --git a/CHANGES.rst b/CHANGES.rst index 97eadc6e96f..dccfb7e7b4f 100644 --- a/CHANGES.rst +++ b/CHANGES.rst @@ -1,6 +1,11 @@ Change log ========== +v3.0.1 +------ +1. Minor bug fixes for cifio. +2. Py3k updates for abinitio. + v3.0.0 ------ * Pymatgen is now completely Python 2.7 and Python 3.x compatible! diff --git a/docs/change_log.rst b/docs/change_log.rst index 97eadc6e96f..dccfb7e7b4f 100644 --- a/docs/change_log.rst +++ b/docs/change_log.rst @@ -1,6 +1,11 @@ Change log ========== +v3.0.1 +------ +1. Minor bug fixes for cifio. +2. Py3k updates for abinitio. + v3.0.0 ------ * Pymatgen is now completely Python 2.7 and Python 3.x compatible! diff --git a/docs/latest_changes.rst b/docs/latest_changes.rst index f3ba8932b8d..9d1a02ec834 100644 --- a/docs/latest_changes.rst +++ b/docs/latest_changes.rst @@ -1,24 +1,7 @@ Change log ========== -v3.0.0 +v3.0.1 ------ -* Pymatgen is now completely Python 2.7 and Python 3.x compatible! -* Spglib and pyhull have been updated to support Python 3.x. -* Completely rewritten pure python cifio module (courtesy of William Davidson - Richards) removed dependency on PyCIFRW, which has been causing many issues - with installation. -* Structure and Molecule now supports a very convenient to() and from_str and - from_file functionality. Instead of trying to load the appropriate parser, - you can output and read from the appropriate formats directly. See example - usage. -* ~50% speedup to LinearAssignment code. -* Continuous integration and contribution guidelines now include Python 3. -* **Backwards incompatible changes** -* matgenie.py has now been renamed simply "pmg" for brevity. -* All deprecated methods in pymatgen 2.x have been removed. E.g., - pymatgen.core.structure_modifier is no longer available. -* Pymatgen classes now uses the as_dict() method protocol implemented in the - Monty package. The to_dict property is now deprecated and will be removed - in pymatgen v3.1. -* Update main docs page examples with the new Structure to, from formats. +1. Minor bug fixes for cifio. +2. Py3k updates for abinitio. diff --git a/docs/pymatgen.io.rst b/docs/pymatgen.io.rst index 6cc18f09604..7181b2079fb 100644 --- a/docs/pymatgen.io.rst +++ b/docs/pymatgen.io.rst @@ -7,6 +7,7 @@ Subpackages .. toctree:: pymatgen.io.abinitio + pymatgen.io.gwwrapper pymatgen.io.vaspio Submodules diff --git a/pymatgen/__init__.py b/pymatgen/__init__.py index c281b8224ad..8906791bd46 100644 --- a/pymatgen/__init__.py +++ b/pymatgen/__init__.py @@ -4,7 +4,7 @@ "Shreyas Cholia", "Vincent L Chevrier", "Rickard Armiento"]) __date__ = "Sep 12 2014" -__version__ = "3.0.0" +__version__ = "3.0.1" #Useful aliases for commonly used objects and modules. diff --git a/pymatgen/core/structure.py b/pymatgen/core/structure.py index a3f56bd31a9..30388e8831c 100644 --- a/pymatgen/core/structure.py +++ b/pymatgen/core/structure.py @@ -479,7 +479,7 @@ def __eq__(self, other): return False if len(self) != len(other): return False - if self._lattice != other._lattice: + if self.lattice != other.lattice: return False for site in self: if site not in other: diff --git a/setup.py b/setup.py index 39239ff26f7..d55757782f5 100644 --- a/setup.py +++ b/setup.py @@ -46,7 +46,7 @@ def get_spglib_ext(): setup( name="pymatgen", packages=find_packages(), - version="3.0.0", + version="3.0.1", install_requires=["numpy>=1.8", "pyhull>=1.5.2", "requests>=2.3.0", "pybtex>=0.18", "pyyaml>=3.11", "monty>=0.4.2", "six>=1.7.3"],