Installing Matflow
Matflow: An API for fully reproducible computational material science workflows
This page is intended to be the new place for all information on installing and reconfiguring matflow installations. For instructions on how to write your own workflow, see Gerards repository here
Installing Python virtual environments
Installing matflow-damask
Steps Ive done to install matflow-new with damask functionality on my CSF space:
Create an environment of python=3.10
using conda conda create -n damask-venv python=3.10
activate environment conda activate damask-env
install requirements pip install -r requirements.txt
Test matflow CLI works by just typing matflow in command line and pressing enter.
install damask
and damask-parse
pip install damask==3.0.0a7.post0
pip install damask-parse==0.2.30
(NEED to be seperate commands because pip raises error if you try to do these together since 3.0.0a7.post0 isn’t considered >3.0.0 )!
Download config files .matflow-new/
and put this dir in home (~/
).
Ensure .matflow-new/config.yaml
file l12 is /mnt/iusers01/jf01/<username>/.matflow-new/envs_CSF3.yaml
replace <username>
with yours (mine is y15576gb) ex. /mnt/iusers01/jf01/y15576gb/.matflow-new/envs_CSF3.yaml
Point all setup:
variables in .matflow-new/envs_CSF3.yaml
to your newly created environment. (For example see how envs_CSF3.yaml
given here all have conda activate damask-env
.
Navigate to scratch and test by running lightest demo workflow matflow demo-workflow go tension_DAMASK_Al
.
ABOVE ALL CHECK damask==3.0.0a7.post0
and damask-parse==0.2.30
with pip list
!!!
Installing matflow-MTEX
Workflow examples
Development examples
FAQ
Q. Why is this page here?
A. Becuase Guy Bowker says so.