Commit 587a1c09 authored by Marco Govoni's avatar Marco Govoni
Browse files

Support for Python 3.8

parent 598316f6
......@@ -11,6 +11,8 @@ The current list of developers, in alphabetical order:
- Sijia Dong (Argonne National Laboratory)
- Marco Govoni (Argonne National Laboratory and University of Chicago)
- Lan Huang (Argonne National Laboratory)
- Yu Jin (University of Chicago)
- He Ma (University of Chicago)
- Han Yang (University of Chicago)
......
......@@ -13,7 +13,7 @@ Configure QuantumEspresso by running the ``configure`` script that comes with th
$ git clone -b 'qe-6.1.0' --single-branch --depth 1 https://gitlab.com/QEF/q-e.git QEdir
$ cd QEdir
$ git clone -b 'v4.1.0' --single-branch --depth 1 http://greatfire.uchicago.edu/west-public/West.git West
$ git clone -b 'v4.2.1' --single-branch --depth 1 http://greatfire.uchicago.edu/west-public/West.git West
$ ./configure
.. note::
......@@ -26,7 +26,7 @@ It's now time to create the ``pw.x``, ``wstat.x``, ``wfreq.x``, and ``westpp.x``
$ cd QEdir
$ make pw
$ cd QEdir/West
$ make conf PYT=python3
$ make conf PYT=python3 PYT_LDFLAGS="`python3-config --ldflags --embed`"
$ make all
You have succefully installed QuantumEspresso and WEST if you see the executables ``pw.x``, ``wstat.x``, ``wfreq.x``, and ``westpp.x`` created in the QEdir/bin directory.
......
......@@ -6,7 +6,7 @@ default :
@echo "Welcome to WEST!"
@echo ' '
@echo 'to install WEST, type at the shell prompt:'
@echo ' make conf PYT=python-3'
@echo ' make conf PYT=python-3 PYT_LDFLAGS="`python3-config --ldflags --embed`"'
@echo ' make [-j] target'
@echo ' '
@echo 'where target identifies one or multiple packages'
......@@ -31,7 +31,7 @@ conf:
@echo " " > west_make.inc
@echo WESTDIR=`pwd` >> west_make.inc
@echo PYT=${PYT} >> west_make.inc
@if [ -z "${PYT_LDFLAGS}" ] ; then echo PYT_LDFLAGS="`${PYT}-config --ldflags`" >> west_make.inc ; else echo PYT_LDFLAGS=${PYT_LDFLAGS} >> west_make.inc ; fi
@echo PYT_LDFLAGS=${PYT_LDFLAGS} >> west_make.inc
@echo " "
@echo "Generated file: west_make.inc"
@cat west_make.inc
......@@ -92,6 +92,7 @@ report_build_vars \
pytools_do
wstat: \
pytools \
libraries_do \
modules_do \
tools_do \
......
WEST.egg-info/
dist/
files.txt
import json
import sys
import os.path
def main():
fname = str(sys.argv[1])
key = str(sys.argv[2])
if os.path.isfile(fname):
with open(fname,"r") as file:
data = json.load(file)
else :
print("Cannot find FILE: ",fname)
print(data[key])
if __name__ == "__main__":
main()
from setuptools import setup
from setuptools import find_packages
import json
with open('../VERSION.json',"r") as file:
data = json.load(file)
setup(name=data["name"],
version=data["version"],
packages=find_packages(),
description='installation script for WEST',
url=data["url"],
author='Marco Govoni',
author_email='mgovoni@anl.gov',
license=data["license"],
install_requires=[
'numpy',
'scipy',
'matplotlib',
'pyyaml',
'datetime',
'setuptools',
'sphinx_rtd_theme'
],
python_requires='>=3.6, <4',
zip_safe=True)
{
"name" : "WEST",
"version" : "4.2.0",
"version" : "4.2.1",
"url" : "http://west-code.org",
"license" : "GPLv3"
}
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