Update dependencies

Cargo.toml

@@ -38,8 +38,9 @@ backtrace = "0.3"
 
 [dev-dependencies]
 criterion = "0.2"
-rand = "0.5"
-env_logger = "0.5"
+rand = "0.6"
+rand_xorshift = "0.1"
+env_logger = "0.6"
 
 [[bench]]
 name = "water"

benches/utils/mod.rs

@@ -2,12 +2,15 @@
 // Copyright (C) Lumol's contributors — BSD license
 #![allow(dead_code)]
 
+extern crate rand_xorshift;
+
 use lumol::types::Vector3D;
 use lumol::sys::{System, TrajectoryBuilder};
 use lumol::input::InteractionsInput;
 use std::path::Path;
 
-use rand::{SeedableRng, XorShiftRng, Rng};
+use rand::{SeedableRng, Rng};
+use self::rand_xorshift::XorShiftRng;
 
 pub fn get_system(name: &str) -> System {
     let data = Path::new(file!()).parent().unwrap().join("..").join("data");

lumol-core/Cargo.toml

@@ -12,15 +12,15 @@ bench = false
 
 [dependencies]
 bitflags = "1"
-chemfiles = "0.8"
+chemfiles = "0.9"
 lazy_static = "1"
 log = "0.4"
-log-once = "0.2"
+log-once = "0.3"
 ndarray = "0.12"
 num-traits = "0.2"
 rayon = "1"
-soa_derive = "0.7"
-special = "0.7"
+soa_derive = "0.8"
+special = "0.8"
 thread_local = "0.3"
 
 [dev-dependencies]

lumol-core/src/math.rs

@@ -17,11 +17,19 @@ macro_rules! make_math_fn {
 
 make_math_fn!(sqrt);
 make_math_fn!(exp);
-make_math_fn!(erf);
-make_math_fn!(erfc);
 make_math_fn!(abs);
 make_math_fn!(cos);
 make_math_fn!(sin);
 make_math_fn!(acos);
 make_math_fn!(floor);
 make_math_fn!(round);
+
+#[inline(always)]
+pub fn erf(value: f64) -> f64 {
+    f64::error(value)
+}
+
+#[inline(always)]
+pub fn erfc(value: f64) -> f64 {
+    f64::compl_error(value)
+}