新一代python的包管理软件mamba
Mamba 是一个高性能的跨平台包管理器，用于替代和扩展 Conda，采用 C++ 重构，实现多线程的仓库数据和包文件并行下载，大幅提升依赖解析速度。
官网repo：mamba-org/micromamba-releases: Micromamba executables mirrored from conda-forge as Github releases
下载安装
直接下载最新的可执行版本：
直接到发布页面下载即可，比如当前最新版本是2.3.0版本，下载linux版：
wget https://github.com/mamba-org/micromamba-releases/releases/download/2.3.0-1/micromamba-linux-64拿到文件后，chmod 755 给个执行权限，即可执行：
root@j7ba948ec6f7425190a818336fcd0045-task0-0:/tmp/code# chmod 755 micromamba-linux-64
root@j7ba948ec6f7425190a818336fcd0045-task0-0:/tmp/code# ./micromamba-linux-64
Version: 2.3.0
./micromamba-linux-64 [OPTIONS] [SUBCOMMAND]
OPTIONS:
-h, --help Print this help message and exit
--version 这时候mamab就可以直接用了。
使用安装脚本安装
直接下载repo源代码，用里面的安装脚本安装即可。
git clone https://github.com/mamba-org/micromamba-releases然后执行里面的install.sh 脚本即可。
也可以直接使用wget或者curl获得安装脚本，比如：
wget https://raw.githubusercontent.com/mamba-org/micromamba-releases/refs/heads/main/install.sh
curl https://raw.githubusercontent.com/mamba-org/micromamba-releases/refs/heads/main/install.sh下载并改名：
curl -L https://raw.githubusercontent.com/mamba-org/micromamba-releases/refs/heads/main/install.sh -o micromamba.sh
实在没办法，还可以直接把下面代码存盘，存为install.sh ,然后执行即可安装mamba：
#!/bin/sh
set -eu
# Detect the shell from which the script was called
parent=$(ps -o comm $PPID |tail -1)
parent=${parent#-} # remove the leading dash that login shells have
case "$parent" in
# shells supported by `micromamba shell init`
bash|fish|xonsh|zsh)
shell=$parent
;;
*)
# use the login shell (basename of $SHELL) as a fallback
shell=${SHELL##*/}
;;
esac
# Parsing arguments
if [ -t 0 ] ; then
printf "Micromamba binary folder? [~/.local/bin] "
read BIN_FOLDER
printf "Init shell ($shell)? [Y/n] "
read INIT_YES
printf "Configure conda-forge? [Y/n] "
read CONDA_FORGE_YES
fi
# Fallbacks
BIN_FOLDER="${BIN_FOLDER:-${HOME}/.local/bin}"
INIT_YES="${INIT_YES:-yes}"
CONDA_FORGE_YES="${CONDA_FORGE_YES:-yes}"
# Prefix location is relevant only if we want to call `micromamba shell init`
case "$INIT_YES" in
y|Y|yes)
if [ -t 0 ]; then
printf "Prefix location? [~/micromamba] "
read PREFIX_LOCATION
fi
;;
esac
PREFIX_LOCATION="${PREFIX_LOCATION:-${HOME}/micromamba}"
# Computing artifact location
case "$(uname)" in
Linux)
PLATFORM="linux" ;;
Darwin)
PLATFORM="osx" ;;
*NT*)
PLATFORM="win" ;;
esac
ARCH="$(uname -m)"
case "$ARCH" in
aarch64|ppc64le|arm64)
;; # pass
*)
ARCH="64" ;;
esac
case "$PLATFORM-$ARCH" in
linux-aarch64|linux-ppc64le|linux-64|osx-arm64|osx-64|win-64)
;; # pass
*)
echo "Failed to detect your OS" >&2
exit 1
;;
esac
if [ "${VERSION:-}" = "" ]; then
RELEASE_URL="https://github.com/mamba-org/micromamba-releases/releases/latest/download/micromamba-${PLATFORM}-${ARCH}"
else
RELEASE_URL="https://github.com/mamba-org/micromamba-releases/releases/download/${VERSION}/micromamba-${PLATFORM}-${ARCH}"
fi
# Downloading artifact
mkdir -p "${BIN_FOLDER}"
if hash curl >/dev/null 2>&1; then
curl "${RELEASE_URL}" -o "${BIN_FOLDER}/micromamba" -fsSL --compressed ${CURL_OPTS:-}
elif hash wget >/dev/null 2>&1; then
wget ${WGET_OPTS:-} -qO "${BIN_FOLDER}/micromamba" "${RELEASE_URL}"
else
echo "Neither curl nor wget was found" >&2
exit 1
fi
chmod +x "${BIN_FOLDER}/micromamba"
# Initializing shell
case "$INIT_YES" in
y|Y|yes)
case $("${BIN_FOLDER}/micromamba" --version) in
1.*|0.*)
shell_arg=-s
prefix_arg=-p
;;
*)
shell_arg=--shell
prefix_arg=--root-prefix
;;
esac
"${BIN_FOLDER}/micromamba" shell init $shell_arg "$shell" $prefix_arg "$PREFIX_LOCATION"
echo "Please restart your shell to activate micromamba or run the following:\n"
echo " source ~/.bashrc (or ~/.zshrc, ~/.xonshrc, ~/.config/fish/config.fish, ...)"
;;
*)
echo "You can initialize your shell later by running:"
echo " micromamba shell init"
;;
esac
# Initializing conda-forge
case "$CONDA_FORGE_YES" in
y|Y|yes)
"${BIN_FOLDER}/micromamba" config append channels conda-forge
"${BIN_FOLDER}/micromamba" config append channels nodefaults
"${BIN_FOLDER}/micromamba" config set channel_priority strict
;;
esac开始使用mamba
比如前面，我们已经下载了minimamba文件，并chmod 755 添加了执行权限，就可以直接开始执行了：
创建一个python3.10的虚拟环境
./micromamba-linux-64 create -n paddle python=3.10感觉速度确实挺快的，输出
Transaction finished
To activate this environment, use:
micromamba-linux-64 activate paddle
Or to execute a single command in this environment, use:
micromamba-linux-64 run -n paddle mycommand但是后面激活出了点问题，简单来说就是没激活成功
./micromamba-linux-64 activate paddle
'micromamba-linux-64' is running as a subprocess and can't modify the parent shell.
Thus you must initialize your shell before using activate and deactivate.
To initialize the current bash shell, run:
$ eval "$(micromamba-linux-64 shell hook --shell bash)"
and then activate or deactivate with:
$ micromamba-linux-64 activate
To automatically initialize all future (bash) shells, run:
$ micromamba-linux-64 shell init --shell bash --root-prefix=~/.local/share/mamba
If your shell was already initialized, reinitialize your shell with:
$ micromamba-linux-64 shell reinit --shell bash
Otherwise, this may be an issue. In the meantime you can run commands. See:
$ micromamba-linux-64 run --help
Supported shells are {bash, zsh, csh, posix, xonsh, cmd.exe, powershell, fish, nu}.
critical libmamba Shell not initialized但是用mamba激活成功了：
root@j7ba948ec6f7425190a818336fcd0045-task0-0:/tmp/code# mamba activate paddle
0 examples ran in 0.0009 seconds
root@j7ba948ec6f7425190a818336fcd0045-task0-0:/tmp/code# python
Python 3.10.11 (main, Sep 12 2023, 07:11:29) [GCC 11.4.0] on linux
Type "help", "copyright", "credits" or "license" for more information.
>>> exit()现在我找不到虚拟环境的位置 .好吧，这个0 examples ran in 0.0009 seconds
好像也不算运行成功啊！
安装飞桨
mamba好像没装成
pip install paddlepaddle -i https://mirror.baidu.com/pypi/simple 最后是这个完成的：
python -m pip install paddlepaddle==3.0.0 -i https://www.paddlepaddle.org.cn/packages/stable/cpu/测试：
root@j7ba948ec6f7425190a818336fcd0045-task0-0:/tmp/code# python
Python 3.10.11 (main, Sep 12 2023, 07:11:29) [GCC 11.4.0] on linux
Type "help", "copyright", "credits" or "license" for more information.
>>> import torch
import >>> import paddle
/usr/local/lib/python3.10/site-packages/paddle/utils/cpp_extension/extension_utils.py:711: UserWarning: No ccache found. Please be aware that recompiling all source files may be required. You can download and install ccache from: https://github.com/ccache/ccache/blob/master/doc/INSTALL.md
warnings.warn(warning_message)
>>> x= paddle.to_tensor((1,2))
>>> y = x+1
>>> y
Tensor(shape=[2], dtype=int64, place=Place(cpu), stop_gradient=True,
[2, 3])>>> paddle.utils.run_check()
Running verify PaddlePaddle program ...
I0621 15:01:31.758841 374 pir_interpreter.cc:1541] New Executor is Running ...
I0621 15:01:31.759274 374 pir_interpreter.cc:1564] pir interpreter is running by multi-thread mode ...
PaddlePaddle works well on 1 CPU.
PaddlePaddle is installed successfully! Let's start deep learning with PaddlePaddle now.其它安装方法安装飞桨
老的安装方法是成功的
python -m pip install paddlepaddle==3.0.0 -i https://www.paddlepaddle.org.cn/packages/stable/cpu/
./micromamba-linux-64 create -n paddle python=3.10
使用包管理器mamba 安装torch
mamba create -n torchmd python=3.10
mamba activate torchmd
mamba install pytorch python=3.10 -c conda-forge
mamba install moleculekit parmed jupyter -c acellera -c conda-forge # For running the examples
pip install torchmd
mamba create -n torchmd
mamba activate torchmd
mamba install pytorch python=3.10 -c conda-forge
mamba install moleculekit parmed jupyter -c acellera -c conda-forge # For running the examples
pip install torchmd
mamba create -n torchmd
mamba activate torchmd
mamba install paddlepaddle python=3.10 -c conda-forge
mamba install moleculekit parmed jupyter -c acellera -c conda-forge # For running the examples
pip install torchmd效果并不太好，就先到这里吧