Merge 8fe304a into d744d21

.coveragerc

@@ -0,0 +1,7 @@
+[run]
+branch = True
+source = adcc
+omit =
+	adcc/testdata/*
+	adcc/lib/*
+	*/test_*.py

.gitignore

@@ -15,6 +15,7 @@
 
 # Testing
 .pytest_cache
+.coverage
 
 # Jupyter
 .ipynb_checkpoints/

.travis.yml

@@ -1,62 +1,52 @@
+language: python
+cache:
+  directories:
+    - "$HOME/.cache/pip"
+
+notifications:
+  email: false
+
 branches:
   only:
     # Only build master and version tags
     - master
     - /^v\d+\.\d+(\.\d+)?(-\S*)?$/
 
-os: linux
-language: python
-python:
-  - "3.7"
-#  - "3.6"    # (best use this for deployment only)
-  - "3.5"
-
 addons:
   apt:
     packages:
       - libopenblas-base
 
-# Environment variables for linux
-env:
-  - [CC=gcc, CXX=g++]
-
 install:
-  - travis_retry pip3 install pyscf  # Install an SCF code
+  - pip3 install pyscf
   - pip3 install --verbose -r requirements.txt
+script: python3 setup.py test -a '--cov=adcc'
 
 # These jobs are only run with the first python version
 # mentioned in the initial list
 jobs:
   include:
+    #
+    # Checking
     - stage: code style
+      python: 3.7
       addons:
         apt:
           packages: []   # Do not install openblas here
       install: travis_retry pip3 install flake8
       script: flake8
       env: CODE_STYLE="flake8"
     #
+    # Testing
     - stage: test
+      python: 3.7
+      env: BUILD_SDIST=true
+    - python: 3.5
+    - os: osx
       language: script
-      os: osx
       osx_image: xcode11.1  # macos 10.14
       env: [CC=gcc-9, CXX=g++-9]
 
-# This is the 'test' build stage
-script:  CC=$CC CXX=$CXX python3 setup.py test
-
-stages:
-  - code style
-  - test
-
-after_failure:
-  - $CC --version
-  - $CXX --version
-
-
-# TODO Coverage on the python sources
-# TODO Deployment to pip on linux (once, as sdist) and macos (each os as bdist_wheel)
-
-
-notifications:
-  email: false
+after_success:
+  - pip3 install coveralls
+  - coveralls

README.md

@@ -1,12 +1,14 @@
 <img src="https://raw.githubusercontent.com/adc-connect/adcc/master/docs/logo/logo.png" alt="adcc logo" height="100px" />
 
 # adcc: Seamlessly connect your program to ADC
+[![license](https://img.shields.io/badge/License-GPL%20v3-blue.svg)](https://github.com/adc-connect/adcc/blob/master/LICENSE)
+[![pypi](https://img.shields.io/pypi/v/adcc)](https://pypi.org/project/adcc)
 [![Documentation](https://img.shields.io/badge/doc-latest-blue.svg)](https://adc-connect.org)
 [![Travis](https://travis-ci.org/adc-connect/adcc.svg?branch=master)](https://travis-ci.org/adc-connect/adcc)
-[![pypi](https://img.shields.io/pypi/v/adcc)](https://pypi.org/project/adcc)
-[![license](https://img.shields.io/badge/License-GPL%20v3-blue.svg)](https://github.com/adc-connect/adcc/blob/master/LICENSE)
+[![Coverage Status](https://coveralls.io/repos/github/adc-connect/adcc/badge.svg?branch=master)](https://coveralls.io/github/adc-connect/adcc?branch=master)
 [![DOI](https://zenodo.org/badge/215731857.svg)](https://zenodo.org/badge/latestdoi/215731857)
 
+
 adcc (**ADC-connect**) is a python-based framework for performing
 the calculation of molecular spectra and electronically excited states
 based upon the algebraic-diagrammatic construction (ADC) approach.

scripts/upload_core.py

@@ -83,9 +83,15 @@ def upload_tarball(filename):
     print()
     print_input("Press enter to upload {} -> {}".format(filename, target))
 
-    host, tdir = target.split(":")
-    command = "put {} {}/".format(filename, tdir)
-    subprocess.run(["sftp", "-b", "-", host], input=command.encode(), check=True)
+    # TODO Ideally one would create a hash here and verify it on download
+    #      to ensure integrity of the download process.
+
+    if ":" in target:  # Remote deployment
+        host, tdir = target.split(":")
+        command = "put {} {}/".format(filename, tdir)
+        subprocess.run(["sftp", "-b", "-", host], input=command.encode(), check=True)
+    else:  # Dummy local deployment
+        subprocess.run(["cp", filename, target], check=True)
 
 
 def main():

setup.py

@@ -360,7 +360,7 @@ def run_tests(self):
         "h5py >= 2.9",        # Maybe also lower?
         "tqdm >= 4.30",       # Maybe also lower?
     ],
-    tests_require=["pytest"],
+    tests_require=["pytest", "pytest-cov"],
     extras_require={
         "build_docs": ["sphinx>=2", "breathe", "sphinxcontrib-bibtex"],
     },