From 2683fc9ffbe83db62369f08347bb64d812117e98 Mon Sep 17 00:00:00 2001 From: fabiocfabini Date: Thu, 23 Feb 2023 11:58:48 +0000 Subject: [PATCH 1/4] Resolve invalid classifier in setup.py --- berry/_subroutines/parserQE.py | 1 - setup.py | 2 +- 2 files changed, 1 insertion(+), 2 deletions(-) diff --git a/berry/_subroutines/parserQE.py b/berry/_subroutines/parserQE.py index 5f83d06..c27f7b3 100644 --- a/berry/_subroutines/parserQE.py +++ b/berry/_subroutines/parserQE.py @@ -29,7 +29,6 @@ def parser(keyword, qefile): #IDEA: Make a parser with ply. #TODO: Future versions should raise appropriate warnings when the search fails. if keyword in strings: - print(re.search(keyword + r"\s*=\s*'(.+)'", content).group(1)) return re.search(keyword + r"\s*=\s*'(.+)'", content).group(1) if keyword in numbers: number = int( diff --git a/setup.py b/setup.py index a3d3196..ff7ac11 100644 --- a/setup.py +++ b/setup.py @@ -48,7 +48,7 @@ def normalize(name): 'Programming Language :: Python :: 3 :: Only', 'Topic :: Scientific/Engineering :: Physics', 'License :: OSI Approved :: MIT License', - 'Operating System :: linux', + 'Operating System :: POSIX :: Linux', ], entry_points={ 'console_scripts': [ From 1c7a471d9e721a943ef8b6405845c5cdc9b827c0 Mon Sep 17 00:00:00 2001 From: fabiocfabini Date: Thu, 23 Feb 2023 13:09:03 +0000 Subject: [PATCH 2/4] Update setup.py version and package info --- _version.py | 1 - setup.py | 7 ++----- 2 files changed, 2 insertions(+), 6 deletions(-) delete mode 100644 _version.py diff --git a/_version.py b/_version.py deleted file mode 100644 index d538f87..0000000 --- a/_version.py +++ /dev/null @@ -1 +0,0 @@ -__version__ = "1.0.0" \ No newline at end of file diff --git a/setup.py b/setup.py index ff7ac11..b849772 100644 --- a/setup.py +++ b/setup.py @@ -1,8 +1,5 @@ from setuptools import find_packages, setup -from _version import __version__ - - def get_long_description(): with open('README.md') as f: return f.read() @@ -18,7 +15,7 @@ def normalize(name): setup( name=normalize('berry-suite'), - version=__version__, + version="1.0.2", author='Berry Developers', author_email='ricardo.ribeiro@physics.org', license="MIT", @@ -26,7 +23,7 @@ def normalize(name): description='The berry suite of programs extracts the Bloch wavefunctions from DFT calculations in an ordered way so they can be directly used to make calculations.', long_description=get_long_description(), long_description_content_type='text/markdown', - packages=find_packages(), + packages=['berry', 'berry/_subroutines', 'berry/utils', 'berry/vis'], install_requires=[ "numpy", "networkx", From 234686cfa25128bd9a644f318436d976b0cdc4b0 Mon Sep 17 00:00:00 2001 From: fabiocfabini Date: Thu, 23 Feb 2023 13:09:33 +0000 Subject: [PATCH 3/4] Fix order of imports --- berry/__init__.py | 3 +-- berry/cli.py | 2 +- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/berry/__init__.py b/berry/__init__.py index a5513a0..0130075 100644 --- a/berry/__init__.py +++ b/berry/__init__.py @@ -1,5 +1,4 @@ -from berry.cli import berry_cli from berry._version import __version__ - +from berry.cli import berry_cli from berry.utils._logger import log \ No newline at end of file diff --git a/berry/cli.py b/berry/cli.py index 70a7fd5..71d8073 100644 --- a/berry/cli.py +++ b/berry/cli.py @@ -7,7 +7,7 @@ import subprocess import argparse, argcomplete -from _version import __version__ +from berry import __version__ #TODO: Talk about np.savez #NOTE: np.savez could help with backwards compatibility From e0891ea2b40e6ace871fcee9e36732c9365c7393 Mon Sep 17 00:00:00 2001 From: fabiocfabini Date: Thu, 23 Feb 2023 13:09:47 +0000 Subject: [PATCH 4/4] Update to corrected version --- berry/_version.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/berry/_version.py b/berry/_version.py index 3d61884..0160549 100644 --- a/berry/_version.py +++ b/berry/_version.py @@ -1,3 +1,3 @@ -__version__ = "1.0.0" +__version__ = "1.0.2" #TODO: change to np.savez