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Version and Packaging modifications #43

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merged 4 commits into from
Feb 23, 2023
Merged

Version and Packaging modifications #43

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2683fc9
Resolve invalid classifier in setup.py
fabiocfabini Feb 23, 2023
1c7a471
Update setup.py version and package info
fabiocfabini Feb 23, 2023
234686c
Fix order of imports
fabiocfabini Feb 23, 2023
e0891ea
Update to corrected version
fabiocfabini Feb 23, 2023
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1 change: 0 additions & 1 deletion _version.py
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This file was deleted.

3 changes: 1 addition & 2 deletions berry/__init__.py
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Original file line number Diff line number Diff line change
@@ -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
1 change: 0 additions & 1 deletion berry/_subroutines/parserQE.py
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Expand Up @@ -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(
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2 changes: 1 addition & 1 deletion berry/_version.py
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Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
__version__ = "1.0.0"
__version__ = "1.0.2"

#TODO: change to np.savez
2 changes: 1 addition & 1 deletion berry/cli.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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
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9 changes: 3 additions & 6 deletions setup.py
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Original file line number Diff line number Diff line change
@@ -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()
Expand All @@ -18,15 +15,15 @@ def normalize(name):

setup(
name=normalize('berry-suite'),
version=__version__,
version="1.0.2",
author='Berry Developers',
author_email='[email protected]',
license="MIT",
url='https://ricardoribeiro-2020.github.io/berry/',
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",
Expand All @@ -48,7 +45,7 @@ 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': [
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