1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
|
# Remove ParmEd from AmberTools
rm -f `which parmed` `which xparmed`
py_bin_dir=$(dirname `which python`)
rm -fr ${py_bin_dir}/../lib/python${PYTHON_VERSION}/site-packages/ParmEd*
rm -fr ${py_bin_dir}/../lib/python${PYTHON_VERSION}/site-packages/parmed/
conda list
pip install -I .
python -c "import parmed; print(parmed.__version__)"
echo "Using ParmEd version `parmed --version`"
cd test
./run_scripts.sh
pytest \
-n 4 \
--cov-branch \
--cov=parmed \
--cov-append \
--cov-report=xml \
--durations-min=5 \
-W ignore::UserWarning \
-W ignore::parmed.exceptions.ParmedWarning \
.
echo "Done!"
|
