-
Notifications
You must be signed in to change notification settings - Fork 4
Expand file tree
/
Copy pathrepositories.toml
More file actions
131 lines (110 loc) · 4.55 KB
/
repositories.toml
File metadata and controls
131 lines (110 loc) · 4.55 KB
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
# GUIDANCE FOR ADDING A PLUGIN TABLE
# REQUIRED KEYS
# `[plugin-name]`
# - The table key should be the plugin's name minus the `avogadro-` prefix.
#
# - `git` or `src`
# - Indicate how to obtain the plugin's source code.
# - A repository on GitHub only needs to provide `git.repo` and `git.commit`.
# - Git repositories in locations other than GitHub are not currently
# supported, but please tell us if you'd have liked to have had the option!
# - An archive at some URL should instead provide `src.url` and `src.sha256`
# - The format of the archive must be one of: zip, tar, gztar, bztar, or
# xztar.
# - `sha256` is the SHA-256 hash of the downloaded archive, not the
# decompressed files.
#
# REQUIRED KEYS IF NOT DEFAULT
# These keys have default values if they are not specified.
# - `path`
# - Used to indicate where the plugin's source code is to be found within the
# repository/archive.
# - Use `/` as the path separator, not `\`
# - If this is specified, you probably want to specify `readme-url` too.
# - default = "."
#
# - `metadata`
# - The plugin's metadata file, located at `path`.
# - options = ["pyproject.toml", "avogadro.toml"]
# - default = "pyproject.toml"
#
# - `plugin-type`
# - options = ["pypkg", "pyscript"]
# - default = "pypkg"
#
# OPTIONAL KEYS
# - `release-tag`
# - If the plugin is in a GitHub repository and the given commit corresponds
# to a specific release, you should provide the tag of the release.
# - `readme-url`
# - A URL that Avogadro can use to get the README file for display in the
# Avogadro GUI.
# - If not specified, if the plugin is in a GitHub repository, the README of
# the repo will be used; thus, if `path` is specified, you probably want to
# specify this too.
# [demo-pypkg]
# git.repo = "https://github.com/matterhorn103/avo-plugin-demo.git"
# git.commit = "819acef635f2a146970499d6d37a743d77ebd4fe"
# path = "avogadro-demo-pypkg"
[generators]
git.repo = "https://github.com/OpenChemistry/avogenerators.git"
git.commit = "12a58630dde5b7184dfafd97e67e0022c49f7a09"
[rdkit]
git.repo = "https://github.com/ghutchis/avogadro-rdkit.git"
git.commit = "5954c943d40484881cf0a97486150cbe115cc2d8"
[cclib]
git.repo = "https://github.com/OpenChemistry/avogadro-cclib.git"
git.commit = "91110cf4714eda8e3e258413553d48a5690cddd5"
[build-ase]
git.repo = "https://github.com/ghutchis/avogadro-build-ase.git"
git.commit = "2c3c72f2b97fc0231c2628a221c3dc519166c422"
[xtb]
git.repo = "https://github.com/matterhorn103/avo_xtb.git"
git.commit = "425500143b5a795dcd26983f5abb4183e905ff41"
release-tag = "0.11.1"
[xtb-energy]
git.repo = "https://github.com/ghutchis/avogadro-xtb-energy.git"
git.commit = "287e8093f65bca5b9d27fbf517a8719ae319d108"
[aimnet2]
git.repo = "https://github.com/ghutchis/avogadro-aimnet2.git"
git.commit = "3c9cce218a681d6ad07389b197919c9d6799b5a6"
[genice]
git.repo = "https://github.com/ghutchis/avogadro-genice.git"
git.commit = "c511d64a07aa3260fb5a297847020c668819fcef"
[turtlemol]
git.repo = "https://github.com/ghutchis/avogadro-turtlemol.git"
git.commit = "eb1b4ab77ec7a4130209445e8c6736d170286998"
[multicharge]
git.repo = "https://github.com/ghutchis/avogadro-multicharge.git"
git.commit = "bbc0d7bd093a87b1e27227ea861847e3485a9d3a"
[antechamber-charges]
git.repo = "https://github.com/ghutchis/avogadro-antechamber-charges.git"
git.commit = "5f6c70b459d8f76ebc08545cf1107d6b3ec384e3"
[chiraltube]
git.repo = "https://github.com/ghutchis/avogadro-chiraltube.git"
git.commit = "170467fc57c4363587bc5dfb206d5c36ad61039f"
[mace]
git.repo = "https://github.com/ghutchis/avogadro-mace.git"
git.commit = "a408a390d88c97d2d05b744786d3e6f45c0668cc"
[pymatgen]
git.repo = "https://github.com/ghutchis/avogadro-pymatgen.git"
git.commit = "aa1fb4c448ec112e3a75b171325fc1ff79b912ef"
[mdtraj]
git.repo = "https://github.com/ghutchis/avogadro-mdtraj.git"
git.commit = "62ee266e340b6dcb10a6f6d8468c7532ab98653f"
[ob-energy]
git.repo = "https://github.com/ghutchis/avogadro-ob-energy.git"
git.commit = "812474ae62749bc99f76b747f7a80d0afe774bfe"
[mattersim]
git.repo = "https://github.com/ghutchis/avogadro-mattersim.git"
git.commit = "525a745aa33c580e70e2ad2e7b94874bfde0eca8"
[ani-energy]
git.repo = "https://github.com/ghutchis/avogadro-ani-energy.git"
git.commit = "9a752e1e9044e4eac0504baf7f414697440aa4f2"
[psi4-cubeprop]
git.repo = "https://github.com/ghutchis/avogadro-psi4-cubeprop.git"
git.commit = "d1cd86cf9dd5154fe3066a64d5e500dc9ac9fe8e"
[crest]
git.repo = "https://github.com/matterhorn103/avogadro-crest"
git.commit = "4ac0a3135fc62e6e5c3d04a56a6b828a0050936e"
release-tag = "0.1.1"