Skip to content

Commit 0f98f75

Browse files
authored
Add "roadmap" page (#156)
* Add "roadmap" page * Moving roadmap to contributor page
1 parent 028308c commit 0f98f75

File tree

2 files changed

+41
-1
lines changed

2 files changed

+41
-1
lines changed

source/contributor/api-v3.rst

+30
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,30 @@
1+
.. _api_v3:
2+
3+
# PySCF v3 API proposals
4+
5+
.. This page lists proposed changes to the API in PySCF-v3
6+
7+
## Removing TaggedNPArray
8+
9+
### Passing additional keyword arguments
10+
11+
### Returning multiple values instead of the TaggedNPArray
12+
13+
### Global configuration to control the return style
14+
15+
---
16+
17+
## Introducing a universal NumPy interface for various NumPy-compatible libraries
18+
19+
A general NumPy wrapper can be developed in PySCF to provide a universal interface
20+
to access NumPy functions. This interface would enable automatic switching to
21+
`jax.numpy` or `torch` functions depending on the runtime context.
22+
23+
This interface can be imported as::
24+
25+
import pyscf.numpy as fnp
26+
27+
28+
---
29+
30+
## Allowing extensions written in C++

source/contributor/index.md

+11-1
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
# Contributor Guide
22

3-
A more complete Contributor Guide for PySCF is planned for the future.
3+
A more complete Contributor Guide and planned tasks for PySCF for the future.
44

55
```{toctree}
66
:caption: Style guide
@@ -9,3 +9,13 @@ A more complete Contributor Guide for PySCF is planned for the future.
99
code-standard
1010
```
1111

12+
```{toctree}
13+
:caption: API change proposals
14+
:maxdepth: 1
15+
16+
api-v3.rst
17+
```
18+
19+
```{toctree}
20+
:caption: Feature requests
21+
```

0 commit comments

Comments
 (0)