mirror of
https://github.com/cp2k/cp2k.git
synced 2026-07-29 06:35:28 -04:00
Docker: Upgrade Python packages of misc test
This commit is contained in:
parent
4b8ab3090f
commit
c469d76320
3 changed files with 8 additions and 13 deletions
|
|
@ -25,12 +25,7 @@ import requests
|
|||
import smtplib
|
||||
import sys
|
||||
import traceback
|
||||
from typing import Any, List, Dict, cast, Optional, ValuesView, NewType
|
||||
|
||||
try:
|
||||
from typing import Literal
|
||||
except ImportError:
|
||||
from typing_extensions import Literal # type: ignore
|
||||
from typing import Any, List, Literal, Dict, cast, Optional, ValuesView, NewType
|
||||
|
||||
import matplotlib as mpl
|
||||
|
||||
|
|
|
|||
|
|
@ -26,13 +26,13 @@ python3 -m venv /opt/venv
|
|||
export PATH="/opt/venv/bin:$PATH"
|
||||
|
||||
# install python packages
|
||||
pip3 install --quiet \
|
||||
pip3 install \
|
||||
-r pao-ml-requirements.txt \
|
||||
numpy==2.2.4 \
|
||||
matplotlib==3.10.1 \
|
||||
requests==2.32.3 \
|
||||
types-requests==2.32.0.20250328 \
|
||||
mypy==1.5.1
|
||||
numpy==2.3.5 \
|
||||
matplotlib==3.10.7 \
|
||||
requests==2.32.4 \
|
||||
types-requests==2.32.4.20250913 \
|
||||
mypy==1.19.0
|
||||
|
||||
# download inputs for minimax_to_fortran_source.py
|
||||
wget -q https://www.cp2k.org/static/downloads/1_xData.zip
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
nequip==0.12.0
|
||||
nequip==0.16.1
|
||||
torch
|
||||
numpy
|
||||
e3nn
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue