Skip to content

Commit bb3e966

Browse files
committed
Torchani has had recent updates that has change the call for the hessian function in torchani.utils
Since we unrestricted the installation of torchani, it would download the latest version as well as pythoin 3.13, thus breaking our tests: `AttributeError: module 'torchani.utils' has no attribute 'hessian'`
1 parent 1a5a3d1 commit bb3e966

2 files changed

Lines changed: 7 additions & 7 deletions

File tree

devtools/install_torchani.sh

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
11
#!/usr/bin/env bash
2-
set -euo pipefail
2+
set -eo pipefail
33

44
# Enable tracing of each command, but tee it to a logfile
55
exec 3>&1 4>&2

devtools/tani_environment.yml

Lines changed: 6 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -4,14 +4,14 @@ channels:
44
- conda-forge
55
- defaults
66
dependencies:
7-
- python
8-
- numpy
7+
- python =3.10.8
8+
- numpy =1.24
99
- pandas
1010
- ase
11-
- torchani >=2.2.3
12-
- pytorch
13-
- torchvision
14-
- torchaudio
11+
- torchani =2.2
12+
- pytorch =1.13.1
13+
- torchvision =0.14.1
14+
- torchaudio =0.13.1
1515
- cpuonly
1616
- scikit-learn
1717
- matplotlib

0 commit comments

Comments
 (0)