Merge branch 'feature/fix-ci' into develop

plkx · Sep 4, 2018 · 8cf94e4 · 8cf94e4
2 parents d65d3fa + adabe35
commit 8cf94e4
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Showing 10 changed files with 48 additions and 608 deletions.
diff --git a/Pipfile b/Pipfile
diff --git a/Pipfile.lock b/Pipfile.lock
diff --git a/extra/ci/get-rdkit-version.py b/extra/ci/get-rdkit-version.py
@@ -1,8 +1,12 @@
+import re
+
+comment = re.compile(r'^\s*#')
+
 def main(data, os, pyver):
     d = {
         (os, pyver): ver
         for os, pyver, ver
-        in (line.strip().split() for line in open(data))
+        in (line.strip().split() for line in open(data) if not comment.match(line))
     }
 
     print(d[(os, pyver)])
@@ -12,5 +16,4 @@ def main(data, os, pyver):
     import sys
     import os
 
-    data = os.path.join(os.path.dirname(__file__), "rdkit-versions.txt")
-    main(data, *sys.argv[1:])
+    main(*sys.argv[1:])
diff --git a/extra/ci/install.sh b/extra/ci/install.sh
@@ -28,22 +28,7 @@ info conda update -y --all
 
 info conda install python=$PYTHON_VERSION
 
-# install requirements
-info pip install pipenv
+RDKIT="rdkit==$(python ./extra/ci/get-rdkit-version.py ./extra/requirements/rdkit-versions.txt $OS_NAME $PYTHON_VERSION)"
+info conda install $RDKIT --file ./extra/requirements/requirements-conda.txt
 
-pipenv lock -r > requirements.txt
-info python ./extra/ci/scrub-requirements.py requirements.txt
-
-banner "requirements.txt start"
-cat requirements.txt
-banner "requirements.txt  end "
-
-RDKIT="rdkit==$(python ./extra/ci/get-rdkit-version.py $OS_NAME $PYTHON_VERSION)"
-info conda install $RDKIT --file requirements.txt --file ./extra/ci/requirements-conda.txt
-
-pipenv lock -r --dev > requirements.txt
-banner "requirements.txt(dev) start"
-cat requirements.txt
-banner "requirements.txt(dev)  end "
-
-info pip install -r requirements.txt
+info pip install -r ./extra/requirements/requirements-pip.txt
diff --git a/extra/ci/rdkit-versions.txt b/extra/ci/rdkit-versions.txt
diff --git a/extra/ci/requirements-conda.txt b/extra/ci/requirements-conda.txt
diff --git a/extra/ci/scrub-requirements.py b/extra/ci/scrub-requirements.py
diff --git a/extra/requirements/rdkit-versions.txt b/extra/requirements/rdkit-versions.txt
@@ -0,0 +1,10 @@
+MacOSX  3.6 2018.03.4.0
+MacOSX  3.5 2018.03.3.0
+MacOSX  2.7 2018.03.4.0
+Linux   3.6 2018.03.4.0
+Linux   3.5 2018.03.4.0
+Linux   2.7 2018.03.4.0
+Windows 3.6 2018.03.4.0
+# 2018.03.1.1 and 2017.09.3.0 on Windows/3.5 are broken
+Windows 3.5 2017.09.2.0
+Windows 2.7 2017.09.3.0
diff --git a/extra/requirements/requirements-conda.txt b/extra/requirements/requirements-conda.txt
@@ -0,0 +1,19 @@
+networkx
+six
+numpy
+tqdm
+pandas
+
+pyyaml
+nose
+
+pep8
+isort
+flake8
+coverage
+coveralls
+
+sphinx
+
+conda-build
+anaconda-client
diff --git a/extra/requirements/requirements-pip.txt b/extra/requirements/requirements-pip.txt
@@ -0,0 +1,10 @@
+flake8-quotes
+flake8-print
+flake8-commas
+flake8-comprehensions
+flake8-docstrings
+flake8-sorted-keys
+flake8-regex
+flake8-string-format
+sphinx-rtd-theme
+sphinxcontrib-bibtex