Commit bd784da5 authored by Marco Govoni's avatar Marco Govoni

Bumped to 4.1.0

parent 507abff0
Pipeline #1549 failed with stages
in 19 minutes and 32 seconds
PYT=python
PYT=python3
install:
${PYT} setup.py install --user --record files.txt
${PYT} setup.py install --user --prefix= --record files.txt
clean:
rm -rf westpy.egg-info
......
......@@ -64,7 +64,7 @@ author = u'Marco Govoni'
# built documents.
#
# The short X.Y version.
version = '4.0.0'
version = '4.1.0'
# The full version, including alpha/beta/rc tags.
release = version
......
......@@ -5,7 +5,7 @@ with open("README.md", "r") as fh:
long_description = fh.read()
setup(name='westpy',
version='4.0.0',
version='4.1.0',
packages=find_packages(),
description='Python analysis tools for WEST',
long_description=long_description,
......@@ -25,7 +25,7 @@ setup(name='westpy',
'signac',
'setuptools',
'urllib3',
'prompt-toolkit<2.0.0',
'prompt-toolkit',
'sphinx',
'sphinx_rtd_theme'
],
......
......@@ -9,7 +9,7 @@ from westpy.dataContainer import *
from westpy.electronicStructure import *
from westpy.session import *
__version__ = '3.1.1'
__version__ = '4.1.0'
def header() :
"""Prints welcome header."""
......
......@@ -321,10 +321,10 @@ def write_cube(data, meta, fname):
params:
data: volumetric data consisting real values
meta: dict containing metadata with following keys
atoms: list of atoms in the form (mass, [position])
org: origin
xvec,yvec,zvec: lattice vector basis
meta: dict containing metadata with following keys:
- atoms: list of atoms in the form (mass, [position])
- org: origin
- xvec,yvec,zvec: lattice vector basis
fname: filename of cubefile (existing files overwritten)
returns: None
......@@ -357,9 +357,9 @@ def write_imcube(data, meta, rfname, ifname=""):
params:
data: volumetric data consisting complex values
meta: dict containing metadata with following keys
atoms: list of atoms in the form (mass, [position])
org: origin
xvec,yvec,zvec: lattice vector basis
- atoms: list of atoms in the form (mass, [position])
- org: origin
- xvec,yvec,zvec: lattice vector basis
rfname: filename of cube file containing real part
ifname: optional, filename of cube file containing imag part
......
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