Help to install mofid module

Run the following commands in a Debian system:

apt-get -y install default-jre rapidjson-dev openbabel wx3.2-headers libxml2-dev libcairo2-dev libwxgtk3.2-dev

Cloning the Repository

Follow these steps to clone the repository:

mkdir mofid_module
cd mofid_module
git clone -b v1.1.0 https://github.com/snurr-group/mofid.git

Editing the Source Code

Make the following modification to the source code:

cd mofid
vim openbabel/include/openbabel/obutil.h

Write #include <ctime> in line 47. Make sure to save the file before exit.

Finalizing the Installation

Complete the installation with these commands:

make init
python3 set_paths.py
source /path/to/venvir_name/bin/activate
pip install .

NOTE

In some python versions you have to modify the setup.py.

Make sure the install requires lines is as follows:

install_requires=[β€œsubprocess32>=3.5.0; python_version<’3.0’”]