Note that, since qmpy is currently only python 2.7 compatible, CAMD python 3
compatibility depends on a custom fork of qmpy here, which is installed using
the setup.py procedure.
We recommend using Anaconda python, and creating a
fresh conda environment for the install (e. g. conda create -n MY_ENV_NAME).
Update packages via apt and set pathing for MySQL dependency:
apt-get update
apt install -y default-libmysqlclient-dev gcc
export PATH=$PATH:/usr/local/mysql/bin
Install numpy/Django via pip first, since the build depends on this and numpy has some difficulty recognizing its own install:
pip install numpy
pip install Django
Then use the included setup.py procedure, from the cloned directory.
python setup.py develop
First dependencies via homebrew. Thanks to the contributors to this stack exchange thread.
$ brew install mysql
$ brew install postgresql
$ brew install gcc
Install numpy/Django via pip first, since the build depends on these and numpy has some difficulty recognizing its own install:
pip install numpy
pip install Django
Then use the included setup.py procedure, from the cloned directory.
python setup.py develop
Datasets for featurized OQMD entries for after-the-fact testing can be downloaded at data.matr.io/3