Added AppVeyor and Travis support for building of wheels.

.gitignore

@@ -9,9 +9,6 @@
 # Python byte files *.pyc
 *.pyc
 
-# Text files *.txt
-*.txt
-
 # Specific files
 docs/index.html.lnk
 docs/run.bat
@@ -37,5 +34,6 @@ qmeq/build
 qmeq/tests/__pycache__
 
 # Specific directories
+instructions/
 project/
 qmeq/tests_

.travis.yml

@@ -0,0 +1,43 @@
+notifications:
+  email: false
+
+branches:
+  only:
+    #- master
+    - 1.0
+
+matrix:
+  include:
+    - os: osx
+      sudo: required
+      language: generic
+    - os: linux
+      sudo: required
+      language: generic
+      services: docker
+      env: DOCKER_IMAGE=quay.io/pypa/manylinux1_x86_64
+    - os: linux
+      sudo: required
+      language: generic
+      services: docker
+      env: DOCKER_IMAGE=quay.io/pypa/manylinux1_i686
+           PRE_CMD=linux32
+
+install:
+  - if [ "$TRAVIS_OS_NAME" == "linux" ]; then docker pull $DOCKER_IMAGE; fi
+
+script:
+  - if [ "$TRAVIS_OS_NAME" == "linux" ]; then docker run --rm -v $PWD:/io $DOCKER_IMAGE $PRE_CMD /io/scripts/build-wheels-linux.sh; fi
+  - if [ "$TRAVIS_OS_NAME" == "osx" ]; then scripts/build-wheels-macos.sh; fi
+  - ls dist/
+
+deploy:
+  provider: releases
+  api_key:
+    secure: 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
+  file_glob: true
+  file: dist/*.whl
+  skip_cleanup: true
+  on:
+    tags: true
+  overwrite: true

appveyor.yml

@@ -0,0 +1,53 @@
+# A little bit modified file from:
+# https://packaging.python.org/guides/supporting-windows-using-appveyor/
+
+notifications:
+  email: false
+
+branches:
+  only:
+    #- master
+    - 1.0
+
+environment:
+  matrix:
+    - PYTHON: "C:\\Python27"
+    - PYTHON: "C:\\Python34"
+    - PYTHON: "C:\\Python35"
+    - PYTHON: "C:\\Python36"
+    - PYTHON: "C:\\Python27-x64"
+    - PYTHON: "C:\\Python34-x64"
+      DISTUTILS_USE_SDK: "1"
+    - PYTHON: "C:\\Python35-x64"
+    - PYTHON: "C:\\Python36-x64"
+
+install:
+  # We need wheel installed to build wheels
+  - "%PYTHON%\\python.exe -m pip install wheel"
+  # We need numpy and cython installed to build qmeq
+  - "%PYTHON%\\python.exe -m pip install cython==0.25.2"
+  - "%PYTHON%\\python.exe -m pip install numpy==1.13.1"
+  - "scripts\\build.cmd %PYTHON%\\python.exe setup.py bdist_wheel"
+
+build: off
+
+artifacts:
+  # bdist_wheel puts your built wheel in the dist directory
+  - path: dist\*
+    name: mywheels
+
+deploy:
+  release: 1.0
+  description: 'QmeQ 1.0'
+  provider: GitHub
+  auth_token:
+    secure: qH8xSyfc5b1pBf1bWprxtfcaI1wfD3d6PRznR5LDb7ZQN8nnZeCgjx9fopFSL+zf
+  artifact: mywheels
+  draft: false
+  prerelease: false
+  force_update: true
+  on:
+    # release from tag 1.0 only
+    branch: 1.0
+    # deploy on tag push only
+    appveyor_repo_tag: true

qmeq/tests/test_various.py

@@ -121,7 +121,7 @@ def test_construct_Ea_extended():
         system = qmeq.Builder(p.nsingle, p.hsingle, p.coulomb, p.nleads, p.tleads, p.mulst, p.tlst, p.dlst,
                               indexing=indexing)
         system.solve(masterq=False)
-        assert norm(construct_Ea_extended(system)- data[indexing]) < EPS
+        assert norm(construct_Ea_extended(system)- data[indexing]) < EPS*10
 
 def test_remove_states():
     p = Parameters_double_dot_spinful()

scripts/build-wheels-linux.sh

@@ -0,0 +1,29 @@
+#!/bin/bash
+set -e -x
+
+# Different Python versions separated by space
+VERS=("cp27-cp27mu" "cp27-cp27m" "cp34-cp34m" "cp35-cp35m" "cp36-cp36m")
+
+# Compile wheels and put them into /io/mywheels/
+cd /io
+for PYBIN in ${VERS[@]}; do
+    echo $PYBIN
+    PYBIN="/opt/python/${PYBIN}/bin"
+    "${PYBIN}/pip" install -r /io/scripts/requirements.txt
+    "${PYBIN}/python" setup.py bdist_wheel -d mywheels
+    "${PYBIN}/python" clean.py
+done
+cd ..
+
+# Bundle external shared libraries into the wheels
+# Move the audited wheels to /io/dist/
+for whl in /io/mywheels/*.whl; do
+    auditwheel repair "$whl" -w /io/dist/
+done
+
+# Install packages and test
+for PYBIN in ${VERS[@]}; do
+    PYBIN="/opt/python/${PYBIN}/bin"
+    "${PYBIN}/pip" install qmeq --no-index -f /io/dist/
+    "${PYBIN}/pytest" --pyargs qmeq
+done

scripts/build-wheels-macos.sh

@@ -0,0 +1,42 @@
+#!/bin/bash
+set -e -x
+
+# Different Python versions separated by space
+VERS=("2.7" "3.4" "3.5" "3.6")
+len=${#VERS[@]}
+
+# Links to different Python versions for MacOS
+URLS=("https://www.python.org/ftp/python/2.7.13/python-2.7.13-macosx10.6.pkg"
+      "https://www.python.org/ftp/python/3.4.4/python-3.4.4-macosx10.6.pkg"
+      "https://www.python.org/ftp/python/3.5.3/python-3.5.3-macosx10.6.pkg"
+      "https://www.python.org/ftp/python/3.6.1/python-3.6.1-macosx10.6.pkg")
+
+PYPATH="/Library/Frameworks/Python.framework/Versions/"
+
+for (( i=0; i<${len}; i++ )); do
+    echo ${VERS[$i]}
+    echo ${URLS[$i]}
+    PNAME="/tmp/Python-${VERS[$i]}.pkg"
+    curl -L -o $PNAME ${URLS[$i]}
+    sudo installer -pkg $PNAME -target /
+    #
+    PYBIN="${PYPATH}/${VERS[$i]}/bin"
+    sudo ln -sf "${PYBIN}/python${VERS[$i]}" "${PYBIN}/python"
+    sudo ln -sf "${PYBIN}/pip${VERS[$i]}" "${PYBIN}/pip"
+done
+
+# Compile wheels and put them into mywheels/
+for PYBIN in ${VERS[@]}; do
+    PYBIN="${PYPATH}/${PYBIN}/bin"
+    "${PYBIN}/pip" install -r scripts/requirements.txt
+    "${PYBIN}/python" setup.py bdist_wheel -d mywheels
+    "${PYBIN}/python" clean.py
+done
+
+# Install packages and test
+mv mywheels dist
+for PYBIN in ${VERS[@]}; do
+    PYBIN="${PYPATH}/${PYBIN}/bin"
+    "${PYBIN}/pip" install qmeq --no-index -f dist
+    "${PYBIN}/pytest" --pyargs qmeq
+done

scripts/build.cmd

@@ -0,0 +1,21 @@
+@echo off
+:: To build extensions for 64 bit Python 3, we need to configure environment
+:: variables to use the MSVC 2010 C++ compilers from GRMSDKX_EN_DVD.iso of:
+:: MS Windows SDK for Windows 7 and .NET Framework 4
+::
+:: More details at:
+:: https://github.com/cython/cython/wiki/CythonExtensionsOnWindows
+
+IF "%DISTUTILS_USE_SDK%"=="1" (
+    ECHO Configuring environment to build with MSVC on a 64bit architecture
+    ECHO Using Windows SDK 7.1
+    "C:\Program Files\Microsoft SDKs\Windows\v7.1\Setup\WindowsSdkVer.exe" -q -version:v7.1
+    CALL "C:\Program Files\Microsoft SDKs\Windows\v7.1\Bin\SetEnv.cmd" /x64 /release
+    SET MSSdk=1
+    REM Need the following to allow tox to see the SDK compiler
+    SET TOX_TESTENV_PASSENV=DISTUTILS_USE_SDK MSSdk INCLUDE LIB
+) ELSE (
+    ECHO Using default MSVC build environment
+)
+
+CALL %*

scripts/requirements.txt

@@ -0,0 +1,5 @@
+wheel
+cython==0.25.2
+numpy==1.13.1
+scipy==0.19.1
+pytest==3.1.3