From 07d0555eef990947684ef2dbce41708f1e409289 Mon Sep 17 00:00:00 2001
From: Anders Steen Christensen <andersx@users.noreply.github.com>
Date: Wed, 7 Jun 2017 16:08:01 +0200
Subject: [PATCH 01/15] fixed bob float/int indices bug (#7)

---
 src/representations.py | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/src/representations.py b/src/representations.py
index b907c80ea..03cc1d244 100644
--- a/src/representations.py
+++ b/src/representations.py
@@ -21,6 +21,7 @@
 # SOFTWARE.
 
 from __future__ import print_function
+from __future__ import division
 
 import numpy as np
 
@@ -36,7 +37,7 @@ def vector_to_matrix(v):
         exit(1)
 
     n = v.shape[0]
-    l = (-1 + int(np.sqrt(8*n+1)))/2
+    l = (-1 + int(np.sqrt(8*n+1)))//2
     M = np.empty((l,l))
 
     index = 0
@@ -100,10 +101,10 @@ def generate_bob(coordinates, nuclear_charges, atomtypes, size=23, asize={"O":3,
             if atom1 > atom2:
                 continue
             if atom1 == atom2:
-                size = size1*(size1-1)/2
+                size = size1*(size1-1)//2
                 feature_vector = np.zeros(size)
                 sub_matrix = coulomb_matrix[np.ix_(pos1,pos1)]
-                feature_vector[:pos1.size*(pos1.size-1)/2] = sub_matrix[np.triu_indices(pos1.size, 1)]
+                feature_vector[:pos1.size*(pos1.size-1)//2] = sub_matrix[np.triu_indices(pos1.size, 1)]
                 feature_vector.sort()
                 descriptor.append(feature_vector[:])
             else:

From 73e277c4d1253538db06be71b696afd1f39ad9a4 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Wed, 7 Jun 2017 16:26:51 +0200
Subject: [PATCH 02/15] Changed src/ to qml/

---
 {src => qml}/__init__.py          |  0
 {src => qml}/arad.py              |  0
 {src => qml}/arad_kernels.py      |  0
 {src => qml}/compound.py          |  0
 {src => qml}/data.py              |  0
 {src => qml}/distance.py          |  0
 {src => qml}/farad_kernels.f90    |  0
 {src => qml}/fcho_solve.f90       |  0
 {src => qml}/fdistance.f90        |  0
 {src => qml}/fkernels.f90         |  0
 {src => qml}/frepresentations.f90 |  0
 {src => qml}/kernels.py           |  0
 {src => qml}/math.py              |  0
 {src => qml}/representations.py   |  0
 {src => qml}/wrappers.py          |  0
 setup.py                          | 12 ++++++------
 16 files changed, 6 insertions(+), 6 deletions(-)
 rename {src => qml}/__init__.py (100%)
 rename {src => qml}/arad.py (100%)
 rename {src => qml}/arad_kernels.py (100%)
 rename {src => qml}/compound.py (100%)
 rename {src => qml}/data.py (100%)
 rename {src => qml}/distance.py (100%)
 rename {src => qml}/farad_kernels.f90 (100%)
 rename {src => qml}/fcho_solve.f90 (100%)
 rename {src => qml}/fdistance.f90 (100%)
 rename {src => qml}/fkernels.f90 (100%)
 rename {src => qml}/frepresentations.f90 (100%)
 rename {src => qml}/kernels.py (100%)
 rename {src => qml}/math.py (100%)
 rename {src => qml}/representations.py (100%)
 rename {src => qml}/wrappers.py (100%)

diff --git a/src/__init__.py b/qml/__init__.py
similarity index 100%
rename from src/__init__.py
rename to qml/__init__.py
diff --git a/src/arad.py b/qml/arad.py
similarity index 100%
rename from src/arad.py
rename to qml/arad.py
diff --git a/src/arad_kernels.py b/qml/arad_kernels.py
similarity index 100%
rename from src/arad_kernels.py
rename to qml/arad_kernels.py
diff --git a/src/compound.py b/qml/compound.py
similarity index 100%
rename from src/compound.py
rename to qml/compound.py
diff --git a/src/data.py b/qml/data.py
similarity index 100%
rename from src/data.py
rename to qml/data.py
diff --git a/src/distance.py b/qml/distance.py
similarity index 100%
rename from src/distance.py
rename to qml/distance.py
diff --git a/src/farad_kernels.f90 b/qml/farad_kernels.f90
similarity index 100%
rename from src/farad_kernels.f90
rename to qml/farad_kernels.f90
diff --git a/src/fcho_solve.f90 b/qml/fcho_solve.f90
similarity index 100%
rename from src/fcho_solve.f90
rename to qml/fcho_solve.f90
diff --git a/src/fdistance.f90 b/qml/fdistance.f90
similarity index 100%
rename from src/fdistance.f90
rename to qml/fdistance.f90
diff --git a/src/fkernels.f90 b/qml/fkernels.f90
similarity index 100%
rename from src/fkernels.f90
rename to qml/fkernels.f90
diff --git a/src/frepresentations.f90 b/qml/frepresentations.f90
similarity index 100%
rename from src/frepresentations.f90
rename to qml/frepresentations.f90
diff --git a/src/kernels.py b/qml/kernels.py
similarity index 100%
rename from src/kernels.py
rename to qml/kernels.py
diff --git a/src/math.py b/qml/math.py
similarity index 100%
rename from src/math.py
rename to qml/math.py
diff --git a/src/representations.py b/qml/representations.py
similarity index 100%
rename from src/representations.py
rename to qml/representations.py
diff --git a/src/wrappers.py b/qml/wrappers.py
similarity index 100%
rename from src/wrappers.py
rename to qml/wrappers.py
diff --git a/setup.py b/setup.py
index 0f1d42376..a68b1ddd8 100755
--- a/setup.py
+++ b/setup.py
@@ -41,7 +41,7 @@
 
 
 ext_farad_kernels = Extension(name = 'farad_kernels',
-                          sources = ['src/farad_kernels.f90'],
+                          sources = ['qml/farad_kernels.f90'],
                           extra_f90_compile_args = COMPILER_FLAGS,
                           extra_f77_compile_args = COMPILER_FLAGS,
                           extra_compile_args = COMPILER_FLAGS,
@@ -50,7 +50,7 @@
                           f2py_options=['--quiet'])
 
 ext_fcho_solve = Extension(name = 'fcho_solve',
-                          sources = ['src/fcho_solve.f90'],
+                          sources = ['qml/fcho_solve.f90'],
                           extra_f90_compile_args = COMPILER_FLAGS,
                           extra_f77_compile_args = COMPILER_FLAGS,
                           extra_compile_args = COMPILER_FLAGS,
@@ -59,7 +59,7 @@
                           f2py_options=['--quiet'])
 
 ext_fdistance = Extension(name = 'fdistance',
-                          sources = ['src/fdistance.f90'],
+                          sources = ['qml/fdistance.f90'],
                           extra_f90_compile_args = COMPILER_FLAGS,
                           extra_f77_compile_args = COMPILER_FLAGS,
                           extra_compile_args = COMPILER_FLAGS,
@@ -68,7 +68,7 @@
                           f2py_options=['--quiet'])
 
 ext_fkernels = Extension(name = 'fkernels',
-                          sources = ['src/fkernels.f90'],
+                          sources = ['qml/fkernels.f90'],
                           extra_f90_compile_args = COMPILER_FLAGS,
                           extra_f77_compile_args = COMPILER_FLAGS,
                           extra_compile_args = COMPILER_FLAGS,
@@ -77,7 +77,7 @@
                           f2py_options=['--quiet'])
 
 ext_frepresentations = Extension(name = 'frepresentations',
-                          sources = ['src/frepresentations.f90'],
+                          sources = ['qml/frepresentations.f90'],
                           extra_f90_compile_args = COMPILER_FLAGS,
                           extra_f77_compile_args = COMPILER_FLAGS,
                           extra_compile_args = COMPILER_FLAGS,
@@ -108,7 +108,7 @@ def setup_pepytools():
         url = __url__,
 
         # set up package contents
-        package_dir={'qml': 'src'},
+        package_dir={'qml': 'qml'},
         packages=['qml'],
         ext_package = 'qml',
         ext_modules = [

From b44132318f8b838cad88c899b49428b5f70e48d9 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Wed, 7 Jun 2017 16:37:22 +0200
Subject: [PATCH 03/15] updated setup install in travis yml

---
 .travis.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.travis.yml b/.travis.yml
index 93edf147c..746045413 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -21,12 +21,12 @@ install:
    if [ ${TRAVIS_PYTHON_VERSION:0:1} = 3 ]; then
        sudo apt-get install python3-numpy
        export PYTHONPATH=/usr/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
-       python3 setup.py build
+       # python3 setup.py build
        python3 setup.py install
    elif [ ${TRAVIS_PYTHON_VERSION} = "2.7" ]; then
        sudo apt-get install python-numpy
        export PYTHONPATH=/usr/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
-       python2 setup.py build
+       # python2 setup.py build
        python2 setup.py install
    else
        echo "ERROR: Unknown Python version."

From 986526664ee2f8204da8e8068d473d82348f4c53 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Wed, 7 Jun 2017 16:42:45 +0200
Subject: [PATCH 04/15] updated pythonpath in travis yml

---
 .travis.yml | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/.travis.yml b/.travis.yml
index 746045413..86956a332 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -37,6 +37,9 @@ before_script:
  - cd ${TRAVIS_BUILD_DIR}
  - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
  - export PYTHONPATH=/usr/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
+ - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
+ - echo ${PYTHONPATH}
+ - echo ${TRAVIS_PYTHON_VERSION}
 
 script:
  - nosetests -v tests/*.py

From fc7370d5eb1ffda61d49efa173cb67f8eb5e1340 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Wed, 7 Jun 2017 16:49:46 +0200
Subject: [PATCH 05/15] updated pythonpath in travis yml try 2

---
 .travis.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.travis.yml b/.travis.yml
index 86956a332..d48193873 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -38,6 +38,7 @@ before_script:
  - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
  - export PYTHONPATH=/usr/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
  - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
+ - export PYTHONPATH=/home/travis/virtualenv/python2.7.12/lib/python2.7/site-packages:${PYTHONPATH}
  - echo ${PYTHONPATH}
  - echo ${TRAVIS_PYTHON_VERSION}
 

From a95e9d7b4fb44f46c49e1ab29cb21a608d770528 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Wed, 7 Jun 2017 16:58:44 +0200
Subject: [PATCH 06/15] updated pythonpath in travis yml try 3

---
 .travis.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.travis.yml b/.travis.yml
index d48193873..9dec56c85 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -38,7 +38,7 @@ before_script:
  - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
  - export PYTHONPATH=/usr/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
  - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
- - export PYTHONPATH=/home/travis/virtualenv/python2.7.12/lib/python2.7/site-packages:${PYTHONPATH}
+ - export PYTHONPATH=/home/travis/virtualenv/python{TRAVIS_PYTHON_VERSION}.*/lib/python{TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
  - echo ${PYTHONPATH}
  - echo ${TRAVIS_PYTHON_VERSION}
 

From 9395794a5cd83e0344325ffd819e3b5cafe7d41c Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Wed, 7 Jun 2017 17:01:32 +0200
Subject: [PATCH 07/15] updated pythonpath in travis yml try 4

---
 .travis.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.travis.yml b/.travis.yml
index 9dec56c85..2120612ba 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -38,7 +38,7 @@ before_script:
  - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
  - export PYTHONPATH=/usr/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
  - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
- - export PYTHONPATH=/home/travis/virtualenv/python{TRAVIS_PYTHON_VERSION}.*/lib/python{TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
+ - export PYTHONPATH=/home/travis/virtualenv/python${TRAVIS_PYTHON_VERSION}.*/lib/python${TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
  - echo ${PYTHONPATH}
  - echo ${TRAVIS_PYTHON_VERSION}
 

From 240ce296d38f9adc83560d5f2cf4fea00ca58601 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Thu, 8 Jun 2017 10:34:35 +0200
Subject: [PATCH 08/15] updated setup.py

---
 setup.py | 11 +++++------
 1 file changed, 5 insertions(+), 6 deletions(-)

diff --git a/setup.py b/setup.py
index a68b1ddd8..c3f338b6f 100755
--- a/setup.py
+++ b/setup.py
@@ -5,7 +5,7 @@
 __copyright__ = "Copyright 2016"
 __credits__ = ["Anders S. Christensen (2016) https://github.com/qmlcode/qml"]
 __license__ = "MIT"
-__version__ = "0.2.3"
+__version__ = "0.2.12"
 __maintainer__ = "Anders S. Christensen"
 __email__ = "andersbiceps@gmail.com"
 __status__ = "Beta"
@@ -95,6 +95,7 @@ def setup_pepytools():
     setup(
 
         name="qml",
+        packages=['qml'],
 
         # metadata
         version=__version__,
@@ -103,14 +104,12 @@ def setup_pepytools():
         platforms = 'Any',
         description = __description__,
         long_description = readme(),
-        keywords = 'Quantum Machine Learning',
-        download_url = "https://github.com/qmlcode/qml/archive/0.2.3.tar.gz",
+        keywords = ['Machine Learning', 'Quantum Chemistry'],
+        classifiers = [],
         url = __url__,
 
         # set up package contents
-        package_dir={'qml': 'qml'},
-        packages=['qml'],
-        ext_package = 'qml',
+        # ext_package = 'qml',
         ext_modules = [
               ext_farad_kernels,
               ext_fcho_solve,

From 6897206de5a4f0f486bbe78e0c0dff6e6c42efc4 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Thu, 8 Jun 2017 11:42:43 +0200
Subject: [PATCH 09/15] removed trusty from travis yml

---
 .travis.yml | 1 -
 1 file changed, 1 deletion(-)

diff --git a/.travis.yml b/.travis.yml
index 2120612ba..a8ffbe948 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -1,7 +1,6 @@
 language: python
 
 sudo: required
-dist: trusty
 
 python:
   - "2.7"

From d5bf8ad2af38164256051116634941a7120f4809 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Thu, 8 Jun 2017 11:56:06 +0200
Subject: [PATCH 10/15] printing pythonpath in travis yml try 5

---
 .travis.yml | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/.travis.yml b/.travis.yml
index a8ffbe948..b92fbac97 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -1,6 +1,7 @@
 language: python
 
 sudo: required
+dist: trusty
 
 python:
   - "2.7"
@@ -40,6 +41,8 @@ before_script:
  - export PYTHONPATH=/home/travis/virtualenv/python${TRAVIS_PYTHON_VERSION}.*/lib/python${TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
  - echo ${PYTHONPATH}
  - echo ${TRAVIS_PYTHON_VERSION}
+ - python -m site --user-site
+ - python -m site
 
 script:
  - nosetests -v tests/*.py

From 08abfefbf9ae7cf095b299941a927b1cc3f073b9 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Thu, 8 Jun 2017 11:59:26 +0200
Subject: [PATCH 11/15] updated pythonpath in travis yml try 5

---
 .travis.yml | 1 -
 1 file changed, 1 deletion(-)

diff --git a/.travis.yml b/.travis.yml
index b92fbac97..7596c9d6a 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -41,7 +41,6 @@ before_script:
  - export PYTHONPATH=/home/travis/virtualenv/python${TRAVIS_PYTHON_VERSION}.*/lib/python${TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
  - echo ${PYTHONPATH}
  - echo ${TRAVIS_PYTHON_VERSION}
- - python -m site --user-site
  - python -m site
 
 script:

From b780a1dcb1b10358985a98fd95558a8b314b13c2 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Thu, 8 Jun 2017 12:05:58 +0200
Subject: [PATCH 12/15] updated test path

---
 .travis.yml            | 11 ++---------
 tests/test_wrappers.py |  4 ++--
 2 files changed, 4 insertions(+), 11 deletions(-)

diff --git a/.travis.yml b/.travis.yml
index 7596c9d6a..f2771f548 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -34,14 +34,7 @@ install:
 
 
 before_script:
- - cd ${TRAVIS_BUILD_DIR}
- - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
- - export PYTHONPATH=/usr/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
- - export PYTHONPATH=/usr/local/lib/python${TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
- - export PYTHONPATH=/home/travis/virtualenv/python${TRAVIS_PYTHON_VERSION}.*/lib/python${TRAVIS_PYTHON_VERSION}/site-packages:${PYTHONPATH}
- - echo ${PYTHONPATH}
- - echo ${TRAVIS_PYTHON_VERSION}
- - python -m site
+ - cd ${TRAVIS_BUILD_DIR}/tests/
 
 script:
- - nosetests -v tests/*.py
+ - nosetests -v
diff --git a/tests/test_wrappers.py b/tests/test_wrappers.py
index 388802ea9..b23a059af 100644
--- a/tests/test_wrappers.py
+++ b/tests/test_wrappers.py
@@ -27,7 +27,7 @@ def get_energies(filename):
 def test_arad_wrapper():
 
     # Parse file containing PBE0/def2-TZVP heats of formation and xyz filenames
-    data = get_energies("tests/hof_qm7.txt")
+    data = get_energies("hof_qm7.txt")
 
     # Generate a list of qml.Compound() objects
     mols = []
@@ -35,7 +35,7 @@ def test_arad_wrapper():
     for xyz_file in sorted(data.keys())[:50]:
 
         # Initialize the qml.Compound() objects
-        mol = qml.Compound(xyz="tests/qm7/" + xyz_file)
+        mol = qml.Compound(xyz="qm7/" + xyz_file)
 
         # Associate a property (heat of formation) with the object
         mol.properties = data[xyz_file]

From a82a64be276a6d8b36a330a0933800353a0c0d05 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Thu, 8 Jun 2017 12:09:04 +0200
Subject: [PATCH 13/15] debug path 1

---
 .travis.yml | 4 +---
 1 file changed, 1 insertion(+), 3 deletions(-)

diff --git a/.travis.yml b/.travis.yml
index f2771f548..71a9876e5 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -5,9 +5,6 @@ dist: trusty
 
 python:
   - "2.7"
-  - "3.4"
-  - "3.5"
-  - "3.6"
 
 before_install:
   - sudo apt-get update -qq
@@ -34,6 +31,7 @@ install:
 
 
 before_script:
+ - ls -lrth /home/travis/virtualenv/python2.7.12/lib/python2.7/site-packages/qml
  - cd ${TRAVIS_BUILD_DIR}/tests/
 
 script:

From fd2cc196271ded742469d28563d856d39ac92e6d Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Thu, 8 Jun 2017 12:14:05 +0200
Subject: [PATCH 14/15] updated ext_package

---
 setup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/setup.py b/setup.py
index c3f338b6f..d7f8432a2 100755
--- a/setup.py
+++ b/setup.py
@@ -109,7 +109,7 @@ def setup_pepytools():
         url = __url__,
 
         # set up package contents
-        # ext_package = 'qml',
+        ext_package = 'qml',
         ext_modules = [
               ext_farad_kernels,
               ext_fcho_solve,

From acac932b4a14e002a524879b64317efadc0791e5 Mon Sep 17 00:00:00 2001
From: "Anders S. Christensen" <andersbiceps@gmail.com>
Date: Thu, 8 Jun 2017 12:20:14 +0200
Subject: [PATCH 15/15] working travis yml

---
 .travis.yml | 9 +++------
 1 file changed, 3 insertions(+), 6 deletions(-)

diff --git a/.travis.yml b/.travis.yml
index 71a9876e5..25af532ab 100644
--- a/.travis.yml
+++ b/.travis.yml
@@ -5,6 +5,9 @@ dist: trusty
 
 python:
   - "2.7"
+  - "3.4"
+  - "3.5"
+  - "3.6"
 
 before_install:
   - sudo apt-get update -qq
@@ -13,17 +16,12 @@ install:
  - sudo apt-get install -qq gcc gfortran libblas-dev liblapack-dev
  - sudo apt-get install -qq gcc-4.8 gfortran-4.8
 
- - echo ${TRAVIS_PYTHON_VERSION}
  - |
    if [ ${TRAVIS_PYTHON_VERSION:0:1} = 3 ]; then
        sudo apt-get install python3-numpy
-       export PYTHONPATH=/usr/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
-       # python3 setup.py build
        python3 setup.py install
    elif [ ${TRAVIS_PYTHON_VERSION} = "2.7" ]; then
        sudo apt-get install python-numpy
-       export PYTHONPATH=/usr/lib/python${TRAVIS_PYTHON_VERSION}/dist-packages:${PYTHONPATH}
-       # python2 setup.py build
        python2 setup.py install
    else
        echo "ERROR: Unknown Python version."
@@ -31,7 +29,6 @@ install:
 
 
 before_script:
- - ls -lrth /home/travis/virtualenv/python2.7.12/lib/python2.7/site-packages/qml
  - cd ${TRAVIS_BUILD_DIR}/tests/
 
 script: