molar_python 1.0.1

python bindings for molar
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

[dependencies.anyhow]
version = "1.0.100"

[dependencies.env_logger]
version = "0.11"

[dependencies.log]
version = "0.4.29"

[dependencies.molar]
version = "1.0.0"

[dependencies.numpy]
features = ["nalgebra"]
version = "0.27"

[dependencies.pyo3]
features = ["anyhow", "extension-module"]
version = "0.27"

[dependencies.pyo3-log]
version = "0.13"

[dependencies.triomphe]
version = "0.1.15"

[features]
gen_bindings = ["molar/gen_bindings"]

[lib]
crate-type = ["cdylib"]
name = "molar_python"
path = "src/lib.rs"

[package]
authors = ["Semen Yesylevskyy <yesint4@yahoo.com>"]
autobenches = false
autobins = false
autoexamples = false
autolib = false
autotests = false
build = false
categories = ["science", "simulation", "external-ffi-bindings"]
description = "python bindings for molar"
documentation = "https://docs.rs/molar_python"
edition = "2021"
homepage = "https://github.com/yesint/molar"
keywords = ["MD", "science", "trajectory", "modeling"]
license = "Artistic-2.0"
name = "molar_python"
readme = "README.md"
repository = "https://github.com/yesint/molar"
version = "1.0.1"