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TODO
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1. python 2 to python 3
2. release pipeline
* static analysis and code style check
* pip, conda, docker releases
* Automatically update documents and homepage
3. Documents
4. Remove deprecated packages
5. setup examples for contributing libraries
12/14
static analysis: pyflake
- annotations
Reach out to Mark re: packaging
Decide what to move to addons?
- only modules not currently tested?
- balance ease of maintenance with ease of development
Docs: Xing finish HF outline
- HF [1st draft] -- garnet to edit
- DFT [1st draft] -- garnet to edit
- TDDFT -- garnet to edit
Qiming:
- Move SHCI/DMRG to pyscf-external <-- [ ]
- Geometry optimizers <-- [ ]
- List others <-- [ ]
- Plan new docs for external <-- [ ]
Garnet: write to nao people [x] <-- remove
Xing: put next 6 mods to document
mp2
cisd
fci
cc
eomcc
casci
casscf
gw
Ask Susi -- [do today]
Flake config <-- [ ]
Edit docs about the external packages and the environment variable PYSCF_EXT_PATH