Environment setup
Start with setting up a new conda virtual environment (venv)
> conda create --name sobo python=3.9
and activate the created venv
> conda activate sobo
Install dependencies
Get openbabel and xtb dependencies
> conda install -c conda-forge openbabel
...
> conda install -c conda-forge xtb
...
Then install the SoBo method
> pip install sobo
1 maintainer
Metadata
1 maintainer
Release files for sobo 0.2.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| sobo-0.2.0.tar.gz | 4.0 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| sobo-0.2.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 8.0 MB
Release files / sobo-0.2.0.tar.gz
| Download URL | sobo-0.2.0.tar.gz |
|---|---|
| Size | 4.0 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
c3a4c891a9b75499e73857a48b09f1f7a8230ae6c385a28fefc52cfa5e0d985e
|
|
BLAKE2b-256 checksum How to use checksums |
a8766e36626c731ccd053505ac7512bbd27d2b91ee2b2f144c202bbb976f45f8
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
poetry/1.1.13 CPython/3.10.8 Darwin/21.6.0
|
Release files / sobo-0.2.0-py3-none-any.whl
| Download URL | sobo-0.2.0-py3-none-any.whl |
|---|---|
| Size | 4.0 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
4c5ec7118ba792f35e3fcf8b0d4d5169039c8411812e60816d97d433f52ef6ff
|
|
BLAKE2b-256 checksum How to use checksums |
19723f49644b831f59d1beae9a59ee373a796f30f90f84569b745e716347c0c3
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
poetry/1.1.13 CPython/3.10.8 Darwin/21.6.0
|
