Commit 6373a011 authored by Martino Bertoni's avatar Martino Bertoni 🌋
Browse files

update gitignore with docs

parent 0ac982f4
......@@ -64,6 +64,7 @@ instance/
# Sphinx documentation
docs/_build/
docs/source/
# PyBuilder
target/
......
......@@ -45,7 +45,6 @@ clean-pyc: ## remove Python file artifacts
find . -name '__pycache__' -exec rm -fr {} +
clean-test: ## remove test and coverage artifacts
rm -fr .tox/
rm -f .coverage
rm -fr htmlcov/
rm -fr .pytest_cache
......@@ -56,8 +55,6 @@ lint: ## check style with flake8
test: ## run tests quickly with the default Python
py.test
test-all: ## run tests on every Python version with tox
tox
coverage: ## check code coverage quickly with the default Python
coverage run --source chemicalchecker -m pytest
......@@ -66,9 +63,7 @@ coverage: ## check code coverage quickly with the default Python
$(BROWSER) htmlcov/index.html
docs: ## generate Sphinx HTML documentation, including API docs
rm -f docs/chemicalchecker.rst
rm -f docs/modules.rst
sphinx-apidoc -o docs/ chemicalchecker
sphinx-apidoc -o docs/source chemicalchecker -f -e
$(MAKE) -C docs clean
$(MAKE) -C docs html
$(BROWSER) docs/_build/html/index.html
......
......@@ -9,6 +9,7 @@ Submodules
chemicalchecker.util.parser.converter
chemicalchecker.util.parser.parser
chemicalchecker.util.parser.prop_calculator
chemicalchecker.util.parser.timeout_decorator
Module contents
---------------
......
......@@ -11,11 +11,24 @@ with open('README.rst') as readme_file:
with open('HISTORY.rst') as history_file:
history = history_file.read()
requirements = [ ]
requirements = [
'numpy',
'h5py',
'psycopg2-binary',
'pandas',
'networkx',
'autologging',
'scipy',
'sqlalchemy'
]
setup_requirements = ['pytest-runner']
test_requirements = [
'pytest',
'mock'
]
setup_requirements = ['pytest-runner', ]
test_requirements = ['pytest', ]
setup(
author="SBNB",
......
[tox]
envlist = py27, py36
[testenv]
conda_deps=
pytest<=3.8.2
rdkit
openbabel
mkl-service
anaconda-client
faiss-cpu
gxx_linux-64
hdbscan
deps =
-r{toxinidir}/requirements_dev.txt
; If you want to make tox run the tests with the same versions, create a
; requirements.txt with the pinned versions and uncomment the following line:
; -r{toxinidir}/requirements.txt
conda_channels=
conda-forge
rdkit
openbabel
pytorch
commands =
pip install -U pip
pip uninstall -y pyOpenSSL
pytest
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