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18:53:07
drmeister
usha: With the new docker image we also have a new way to set up the cando development environment.
18:53:58
drmeister
In a nutshell, cando uses jupyterlab as its front end - and jupyterlab is a big Python project that is under active development and it has to be installed on the system that runs cando so that cando can interact with it.
18:55:04
drmeister
We've been working hard to get control of how jupyterlab installs itself so that everything gets installed under one directory called /opt/clasp
18:55:44
drmeister
The operating system (macOS, Linux of FreeBSD) will provide the python 3.6 or 3.7 and everything else is in /opt/clasp
18:56:52
drmeister
All of this is in the docker image - so you don't need to worry about it - but if you do want to worry about it - cando and jupyterlab is in /opt/clasp/... and Amber is in /opt/amber18 within the docker image.
18:57:29
drmeister
We can also install natively on macOS, Linux and FreeBSD and again - everything goes into those two directories.
18:58:03
drmeister
In a development system we are still using /opt/clasp - but it doesn't contain cando - just the jupyterlab stuff.
19:00:39
drmeister
Ok, I'm saying this stuff because you said that you were interested in learning Common Lisp and programming in Cando. When you are ready - we can set you up with a development system.
19:02:12
drmeister
Right - I'm saying this to demystify the cando development system a bit and because I'm rearranging things and it helps me to tell people about it to straighten things out in my head.
19:29:18
shiho
usha: Sorry for late reply. For add ions, please load parameters for ions (source "leaprc.water.tip3p").