Merge branch 'develop' into 'master'

Develop

See merge request west-devel/westpy!5

.gitignore

@@ -17,6 +17,7 @@ __pycache__
 
 # Installer logs
 pip-log.txt
+files.txt
 
 .*.swp
 

.gitlab-ci.yml

 variables:
- GIT_STRATEGY: none
+  GIT_STRATEGY: none
 
 stages:
- - build
- - doc
+  - build
+  - doc
 
 westpy_build:
- tags: [rcc,docker,node-01]
- stage: build
- image: ubuntu:latest
- before_script:
-   - echo 'debconf debconf/frontend select Noninteractive' | debconf-set-selections
-   - apt-get update > /dev/null
-   - apt-get install -qq apt-utils > /dev/null
-   - apt-get install -qq dialog apt-utils -y > /dev/null
-   - apt-get install -qq build-essential > /dev/null
-   - apt-get install -qq pkg-config > /dev/null
-   - apt-get install -qq libpng-dev > /dev/null
-   - apt-get install -qq pandoc > /dev/null
-   - apt-get install -qq wget git > /dev/null
-   - export PY_DIR="/opt/anaconda"
-   - cd /opt
-   - wget https://repo.continuum.io/archive/Anaconda3-5.2.0-Linux-x86_64.sh
-   - /bin/bash /opt/Anaconda3-5.2.0-Linux-x86_64.sh -b -p $PY_DIR
-   - export PATH=$PY_DIR/bin:$PATH
-   - conda upgrade conda
-   - conda upgrade scipy numpy matplotlib scikit-learn
-   - conda update --prefix $PY_DIR anaconda
-   - which python
- script:
-   - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL westpy
-   - cd westpy
-   - git describe
-   - make
-   
-   
+  tags: [rcc,docker,node-01]
+  stage: build
+  image: continuumio/miniconda3:latest
+  before_script:
+    - apt-get update > /dev/null
+    - export TZ="US/Central"
+    - apt-get install -qq make > /dev/null
+    - rm -f /etc/localtime
+    - cp /usr/share/zoneinfo/$TZ /etc/localtime
+    - pip install -q --upgrade pip
+    - which python
+  script:
+    - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL westpy
+    - cd westpy
+    - git describe --tags --always
+    - make
+
 westpy_doc_build:
- tags: [rcc,docker,node-01]
- stage: doc
- image: debian:7
- before_script:
-   - echo 'debconf debconf/frontend select Noninteractive' | debconf-set-selections
-   - apt-get update > /dev/null
-   - apt-get install -qq build-essential > /dev/null
-   - apt-get install -qq apt-utils > /dev/null
-   - apt-get install -qq wget git > /dev/null
-   - apt-get -qq install vim > /dev/null 
-   - apt-get -qq install zlib1g-dev > /dev/null
-   - apt-get -qq install libssl-dev > /dev/null
-   - export TZ="US/Central"
-   - rm -f /etc/localtime
-   - cp  /usr/share/zoneinfo/$TZ  /etc/localtime
-   - apt-get install -qq texlive-latex-base > /dev/null
-   - apt-get install -qq latex2html > /dev/null
-   - apt-get install -qq pandoc > /dev/null
-   - cd /opt
-   - export PY_VERSION="3.5.4"
-   - wget https://www.python.org/ftp/python/$PY_VERSION/Python-$PY_VERSION.tgz
-   - tar -xzf Python-$PY_VERSION.tgz
-   - cd Python-$PY_VERSION 
-   - export PY_DIR="/opt/python"
-   - ./configure --prefix $PY_DIR
-   - make 
-   - make install
-   - ln -s $PY_DIR/bin/python3.5 $PY_DIR/bin/python
-   - export PATH=$PY_DIR/bin:$PATH
-   - wget https://bootstrap.pypa.io/get-pip.py
-   - which python
-   - python get-pip.py
-   - pip install nbsphinx
-   - pip install sphinx_rtd_theme
-   - pip install ipython
- script:
-   - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL westpy
-   - cd westpy
-   - git describe
-   - cd doc
-   - make html
-   - ls _build/html
+  tags: [rcc,docker,node-01]
+  stage: doc
+  image: continuumio/miniconda3:latest
+  before_script:
+    - apt-get update > /dev/null
+    - export TZ="US/Central"
+    - apt-get install -qq make > /dev/null
+    - apt-get install -qq pandoc > /dev/null
+    - rm -f /etc/localtime
+    - cp /usr/share/zoneinfo/$TZ /etc/localtime
+    - conda install -q -y -c conda-forge nbsphinx
+    - conda install -q -y sphinx_rtd_theme
+    - conda install -q -y ipython
+  script:
+    - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL westpy
+    - cd westpy
+    - git describe --tags --always
+    - cd doc
+    - make html
+    - ls _build/html

README.md

 # westpy
-Python tools for WEST
+Python tools for [WEST](http://www.west-code.org)
 
 ## About
-**westpy** is a Python package to pre- and post-process WEST calculations. 
+**westpy** is a Python package to pre- and post-process WEST calculations.
 
-## Installation 
-To quickly install **westpy**, execute : 
+## Installation
+To quickly install **westpy**, execute :
 
-     make  
+     make
 
-Alternatively you can execute : 
+Alternatively you can execute :
 
      python setup.py install --user
 
-## Development 
+## Development
 The **westpy** package is hosted on [GitLab](http://greatfire.uchicago.edu/west-public/westpy), mirrored to [GitHub](https://github.com/west-code-development/westpy), and licensed under the open-source GPLv3 license.

doc/conf.py

@@ -56,7 +56,7 @@ master_doc = 'index'
 
 # General information about the project.
 project = u'westpy'
-copyright = u'2020, Marco Govoni'
+copyright = u'2021, Marco Govoni'
 author = u'Marco Govoni'
 
 # The version info for the project you're documenting, acts as replacement for
@@ -64,7 +64,7 @@ author = u'Marco Govoni'
 # built documents.
 #
 # The short X.Y version.
-version = '4.2.0'
+version = '4.3.0'
 # The full version, including alpha/beta/rc tags.
 release = version
 

setup.py

@@ -5,7 +5,7 @@ with open("README.md", "r") as fh:
     long_description = fh.read()
 
 setup(name='westpy',
-      version='4.2.0',
+      version='4.3.0',
       packages=find_packages(),
       description='Python analysis tools for WEST',
       long_description=long_description,
@@ -30,5 +30,5 @@ setup(name='westpy',
           'sphinx_rtd_theme',
           'py3Dmol'
       ],
-      python_requires='>=2.7, >=3.0, !=3.0.*, !=3.1.*, !=3.2.*, <4',
+      python_requires='>=3.6, <4',
       zip_safe=True)

westpy/__init__.py

@@ -7,7 +7,7 @@ from westpy.dataContainer import *
 from westpy.electronicStructure import * 
 from westpy.session import *
 
-__version__ = '4.2.0'
+__version__ = '4.3.0'
 
 def header() :
    """Prints welcome header."""