Python
On Delta, you may install your own python software stacks as needed. There are a couple choices when customizing your python setup. You may use any of these methods with any of the python versions or instances described below (or you may install your own python versions):
venv (python virtual environment)
can name environments (metadata) and have multiple environments per python version or instance
-
similar to venv but with more flexibility , see this comparison (1/2 way down the page)
mamba (micromamba is a clone of conda but faster to use)
use micromamba install guide and then use conda commands the usual way
pip3 : pip3 install –user <python_package>
useful when you need just 1 python environment per python version or instance
A couple examples using all of the above are shown at this site covering scikit-learn-intelex (an Intel accelerated scikit learn subset library for x86_64 architecture) : https://github.com/intel/scikit-learn-intelex/blob/master/INSTALL.md
NGC containers for gpu nodes
The Nvidia NGC containers on Delta provide optimized python frameworks built for Delta’s A100 and A40 gpus. Delta staff recommend using an NGC container when possible with the gpu nodes (or use the anaconda3_gpu module described later).
The default gcc (latest version) programming environment contains:
Anaconda
pkgs/anaconda3
Use python from the pkgs/anaconda3 module if you need some of the modules provided by Anaconda in your python workflow. See the “managing environments” section of the Conda getting started guide to learn how to customize Conda for your workflow and add extra python modules to your environment. The Delta team frequently updates anaconda3 to track the latest packages.
anaconda and containers
If you use anaconda with NGC containers, take care to use the python from the container and not the python from anaconda or one of its environments. The container’s python should be 1st in $PATH. You may –bind the anaconda directory or other paths into the container so that you can start your conda environments, but with the container’s python (/usr/bin/python).
older versions of python and modules
https://repo.anaconda.com/archive/ contains previous Anaconda versions. The bundles are not small, but using one from Anaconda would ensure that you get software that was built to work together at a point in time. If you require an older version of a python lib/module, we suggest looking back in time at the Anaconda site.
$ module load modtree/cpu
$ module load gcc pkgs/anaconda3
$ which conda
/sw/external/python/anaconda3/bin/conda
$ module list
Currently Loaded Modules:
Currently Loaded Modules:
1) scripts/script_paths 3) gcc/11.4.0 5) cuda/11.8.0 7) pkgs/anaconda3/23.11.0
2) user/license_file 4) openmpi/4.1.6 6) StdEnv
List of modules in anaconda3
The current list of modules available in anaconda3_cpu is shown via “conda list”, including tensorflow, pytorch, etc:
# packages in environment at /sw/pkgs/anaconda/anaconda3:
#
# Name Version Build Channel
_anaconda_depends 2023.09 py311_mkl_1
_libgcc_mutex 0.1 main
_openmp_mutex 5.1 1_gnu
abseil-cpp 20211102.0 hd4dd3e8_0
aiobotocore 2.7.0 py311h06a4308_0
aiohttp 3.9.0 py311h5eee18b_0
aioitertools 0.7.1 pyhd3eb1b0_0
aiosignal 1.2.0 pyhd3eb1b0_0
alabaster 0.7.12 pyhd3eb1b0_0
anaconda-anon-usage 0.4.2 py311hfc0e8ea_0
anaconda-catalogs 0.2.0 py311h06a4308_0
anaconda-client 1.12.1 py311h06a4308_0
anaconda-cloud-auth 0.1.4 py311h06a4308_0
anaconda-navigator 2.5.0 py311h06a4308_0
anaconda-project 0.11.1 py311h06a4308_0
anyio 3.5.0 py311h06a4308_0
aom 3.6.0 h6a678d5_0
appdirs 1.4.4 pyhd3eb1b0_0
archspec 0.2.1 pyhd3eb1b0_0
argon2-cffi 21.3.0 pyhd3eb1b0_0
argon2-cffi-bindings 21.2.0 py311h5eee18b_0
arrow 1.2.3 py311h06a4308_1
arrow-cpp 11.0.0 h374c478_2
astroid 2.14.2 py311h06a4308_0
astropy 5.3.4 py311hf4808d0_0
asttokens 2.0.5 pyhd3eb1b0_0
async-lru 2.0.4 py311h06a4308_0
atomicwrites 1.4.0 py_0
attrs 23.1.0 py311h06a4308_0
automat 20.2.0 py_0
autopep8 1.6.0 pyhd3eb1b0_1
aws-c-common 0.6.8 h5eee18b_1
aws-c-event-stream 0.1.6 h6a678d5_6
aws-checksums 0.1.11 h5eee18b_2
aws-sdk-cpp 1.8.185 h721c034_1
babel 2.11.0 py311h06a4308_0
backcall 0.2.0 pyhd3eb1b0_0
backports 1.1 pyhd3eb1b0_0
backports.functools_lru_cache 1.6.4 pyhd3eb1b0_0
backports.tempfile 1.0 pyhd3eb1b0_1
backports.weakref 1.0.post1 py_1
bcrypt 3.2.0 py311h5eee18b_1
beautifulsoup4 4.12.2 py311h06a4308_0
binaryornot 0.4.4 pyhd3eb1b0_1
black 23.11.0 py311h06a4308_0
blas 1.0 mkl
bleach 4.1.0 pyhd3eb1b0_0
blosc 1.21.3 h6a678d5_0
bokeh 3.3.0 py311h92b7b1e_0
boltons 23.0.0 py311h06a4308_0
boost-cpp 1.82.0 hdb19cb5_2
botocore 1.31.64 py311h06a4308_0
bottleneck 1.3.5 py311hbed6279_0
brotli 1.0.9 h5eee18b_7
brotli-bin 1.0.9 h5eee18b_7
brotli-python 1.0.9 py311h6a678d5_7
brunsli 0.1 h2531618_0
bzip2 1.0.8 h7b6447c_0
c-ares 1.19.1 h5eee18b_0
c-blosc2 2.10.5 h80c7b02_0
ca-certificates 2023.12.12 h06a4308_0
certifi 2023.11.17 py311h06a4308_0
cffi 1.16.0 py311h5eee18b_0
cfitsio 3.470 h5893167_7
chardet 4.0.0 py311h06a4308_1003
charls 2.2.0 h2531618_0
charset-normalizer 2.0.4 pyhd3eb1b0_0
click 8.1.7 py311h06a4308_0
cloudpickle 2.2.1 py311h06a4308_0
clyent 1.2.2 py311h06a4308_1
colorama 0.4.6 py311h06a4308_0
colorcet 3.0.1 py311h06a4308_0
comm 0.1.2 py311h06a4308_0
conda 23.11.0 py311h06a4308_0
conda-build 3.28.2 py311h06a4308_0
conda-content-trust 0.2.0 py311h06a4308_0
conda-index 0.3.0 py311h06a4308_0
conda-libmamba-solver 23.12.0 pyhd3eb1b0_1
conda-pack 0.6.0 pyhd3eb1b0_0
conda-package-handling 2.2.0 py311h06a4308_0
conda-package-streaming 0.9.0 py311h06a4308_0
conda-repo-cli 1.0.75 py311h06a4308_0
conda-token 0.4.0 pyhd3eb1b0_0
conda-verify 3.4.2 py_1
constantly 23.10.4 py311h06a4308_0
contourpy 1.2.0 py311hdb19cb5_0
cookiecutter 2.5.0 py311h06a4308_0
cryptography 41.0.7 py311hdda0065_0
cssselect 1.1.0 pyhd3eb1b0_0
curl 8.4.0 hdbd6064_1
cycler 0.11.0 pyhd3eb1b0_0
cyrus-sasl 2.1.28 h52b45da_1
cytoolz 0.12.2 py311h5eee18b_0
daal4py 2023.1.1 py311h4cb112f_0
dal 2023.1.1 hdb19cb5_48680
dask 2023.11.0 py311h06a4308_0
dask-core 2023.11.0 py311h06a4308_0
datasets 2.12.0 py311h06a4308_0
datashader 0.16.0 py311h06a4308_0
dav1d 1.2.1 h5eee18b_0
dbus 1.13.18 hb2f20db_0
debugpy 1.6.7 py311h6a678d5_0
decorator 5.1.1 pyhd3eb1b0_0
defusedxml 0.7.1 pyhd3eb1b0_0
diff-match-patch 20200713 pyhd3eb1b0_0
dill 0.3.6 py311h06a4308_0
distributed 2023.11.0 py311h06a4308_0
distro 1.8.0 py311h06a4308_0
docstring-to-markdown 0.11 py311h06a4308_0
docutils 0.18.1 py311h06a4308_3
entrypoints 0.4 py311h06a4308_0
et_xmlfile 1.1.0 py311h06a4308_0
executing 0.8.3 pyhd3eb1b0_0
expat 2.5.0 h6a678d5_0
filelock 3.13.1 py311h06a4308_0
flake8 6.0.0 py311h06a4308_0
flask 2.2.5 py311h06a4308_0
fmt 9.1.0 hdb19cb5_0
font-ttf-dejavu-sans-mono 2.37 hd3eb1b0_0
font-ttf-inconsolata 2.001 hcb22688_0
font-ttf-source-code-pro 2.030 hd3eb1b0_0
font-ttf-ubuntu 0.83 h8b1ccd4_0
fontconfig 2.14.1 h4c34cd2_2
fonts-anaconda 1 h8fa9717_0
fonttools 4.25.0 pyhd3eb1b0_0
freetype 2.12.1 h4a9f257_0
frozenlist 1.4.0 py311h5eee18b_0
fsspec 2023.10.0 py311h06a4308_0
future 0.18.3 py311h06a4308_0
gensim 4.3.0 py311hba01205_1
gflags 2.2.2 he6710b0_0
giflib 5.2.1 h5eee18b_3
glib 2.69.1 he621ea3_2
glog 0.5.0 h2531618_0
gmp 6.2.1 h295c915_3
gmpy2 2.1.2 py311hc9b5ff0_0
greenlet 3.0.1 py311h6a678d5_0
grpc-cpp 1.48.2 he1ff14a_1
gst-plugins-base 1.14.1 h6a678d5_1
gstreamer 1.14.1 h5eee18b_1
h5py 3.9.0 py311hdd6beaf_0
hdf5 1.12.1 h2b7332f_3
heapdict 1.0.1 pyhd3eb1b0_0
holoviews 1.18.1 py311h06a4308_0
huggingface_hub 0.17.3 py311h06a4308_0
hvplot 0.9.0 py311h06a4308_0
hyperlink 21.0.0 pyhd3eb1b0_0
icu 73.1 h6a678d5_0
idna 3.4 py311h06a4308_0
imagecodecs 2023.1.23 py311h8105a5c_0
imageio 2.31.4 py311h06a4308_0
imagesize 1.4.1 py311h06a4308_0
imbalanced-learn 0.11.0 py311h06a4308_1
importlib-metadata 6.0.0 py311h06a4308_0
importlib_metadata 6.0.0 hd3eb1b0_0
incremental 21.3.0 pyhd3eb1b0_0
inflection 0.5.1 py311h06a4308_0
iniconfig 1.1.1 pyhd3eb1b0_0
intake 0.6.8 py311h06a4308_0
intel-openmp 2023.1.0 hdb19cb5_46306
intervaltree 3.1.0 pyhd3eb1b0_0
ipykernel 6.25.0 py311h92b7b1e_0
ipython 8.15.0 py311h06a4308_0
ipython_genutils 0.2.0 pyhd3eb1b0_1
ipywidgets 8.0.4 py311h06a4308_0
isort 5.9.3 pyhd3eb1b0_0
itemadapter 0.3.0 pyhd3eb1b0_0
itemloaders 1.0.4 pyhd3eb1b0_1
itsdangerous 2.0.1 pyhd3eb1b0_0
jaraco.classes 3.2.1 pyhd3eb1b0_0
jedi 0.18.1 py311h06a4308_1
jeepney 0.7.1 pyhd3eb1b0_0
jellyfish 1.0.1 py311hb02cf49_0
jinja2 3.1.2 py311h06a4308_0
jmespath 1.0.1 py311h06a4308_0
joblib 1.2.0 py311h06a4308_0
jpeg 9e h5eee18b_1
jq 1.6 h27cfd23_1000
json5 0.9.6 pyhd3eb1b0_0
jsonpatch 1.32 pyhd3eb1b0_0
jsonpointer 2.1 pyhd3eb1b0_0
jsonschema 4.19.2 py311h06a4308_0
jsonschema-specifications 2023.7.1 py311h06a4308_0
jupyter 1.0.0 py311h06a4308_8
jupyter-lsp 2.2.0 py311h06a4308_0
jupyter_client 8.6.0 py311h06a4308_0
jupyter_console 6.6.3 py311h06a4308_0
jupyter_core 5.5.0 py311h06a4308_0
jupyter_events 0.8.0 py311h06a4308_0
jupyter_server 2.10.0 py311h06a4308_0
jupyter_server_terminals 0.4.4 py311h06a4308_1
jupyterlab 4.0.8 py311h06a4308_0
jupyterlab_pygments 0.1.2 py_0
jupyterlab_server 2.25.1 py311h06a4308_0
jupyterlab_widgets 3.0.9 py311h06a4308_0
jxrlib 1.1 h7b6447c_2
kaleido-core 0.2.1 h7c8854e_0
keyring 23.13.1 py311h06a4308_0
kiwisolver 1.4.4 py311h6a678d5_0
krb5 1.20.1 h143b758_1
lazy-object-proxy 1.6.0 py311h5eee18b_0
lazy_loader 0.3 py311h06a4308_0
lcms2 2.12 h3be6417_0
ld_impl_linux-64 2.38 h1181459_1
lerc 3.0 h295c915_0
libaec 1.0.4 he6710b0_1
libarchive 3.6.2 h6ac8c49_2
libavif 0.11.1 h5eee18b_0
libboost 1.82.0 h109eef0_2
libbrotlicommon 1.0.9 h5eee18b_7
libbrotlidec 1.0.9 h5eee18b_7
libbrotlienc 1.0.9 h5eee18b_7
libclang 14.0.6 default_hc6dbbc7_1
libclang13 14.0.6 default_he11475f_1
libcups 2.4.2 h2d74bed_1
libcurl 8.4.0 h251f7ec_1
libdeflate 1.17 h5eee18b_1
libedit 3.1.20230828 h5eee18b_0
libev 4.33 h7f8727e_1
libevent 2.1.12 hdbd6064_1
libffi 3.4.4 h6a678d5_0
libgcc-ng 11.2.0 h1234567_1
libgfortran-ng 11.2.0 h00389a5_1
libgfortran5 11.2.0 h1234567_1
libgomp 11.2.0 h1234567_1
liblief 0.12.3 h6a678d5_0
libllvm14 14.0.6 hdb19cb5_3
libmamba 1.5.3 haf1ee3a_0
libmambapy 1.5.3 py311h2dafd23_0
libnghttp2 1.57.0 h2d74bed_0
libpng 1.6.39 h5eee18b_0
libpq 12.15 hdbd6064_1
libprotobuf 3.20.3 he621ea3_0
libsodium 1.0.18 h7b6447c_0
libsolv 0.7.24 he621ea3_0
libspatialindex 1.9.3 h2531618_0
libssh2 1.10.0 hdbd6064_2
libstdcxx-ng 11.2.0 h1234567_1
libthrift 0.15.0 h1795dd8_2
libtiff 4.5.1 h6a678d5_0
libuuid 1.41.5 h5eee18b_0
libwebp 1.3.2 h11a3e52_0
libwebp-base 1.3.2 h5eee18b_0
libxcb 1.15 h7f8727e_0
libxkbcommon 1.0.1 h5eee18b_1
libxml2 2.10.4 hf1b16e4_1
libxslt 1.1.37 h5eee18b_1
libzopfli 1.0.3 he6710b0_0
linkify-it-py 2.0.0 py311h06a4308_0
llvmlite 0.41.0 py311he621ea3_0
locket 1.0.0 py311h06a4308_0
lxml 4.9.3 py311hdbbb534_0
lz4 4.3.2 py311h5eee18b_0
lz4-c 1.9.4 h6a678d5_0
lzo 2.10 h7b6447c_2
markdown 3.4.1 py311h06a4308_0
markdown-it-py 2.2.0 py311h06a4308_1
markupsafe 2.1.1 py311h5eee18b_0
mathjax 2.7.5 h06a4308_0
matplotlib 3.8.0 py311h06a4308_0
matplotlib-base 3.8.0 py311ha02d727_0
matplotlib-inline 0.1.6 py311h06a4308_0
mccabe 0.7.0 pyhd3eb1b0_0
mdit-py-plugins 0.3.0 py311h06a4308_0
mdurl 0.1.0 py311h06a4308_0
menuinst 2.0.1 py311h06a4308_1
mistune 2.0.4 py311h06a4308_0
mkl 2023.1.0 h213fc3f_46344
mkl-service 2.4.0 py311h5eee18b_1
mkl_fft 1.3.8 py311h5eee18b_0
mkl_random 1.2.4 py311hdb19cb5_0
more-itertools 10.1.0 py311h06a4308_0
mpc 1.1.0 h10f8cd9_1
mpfr 4.0.2 hb69a4c5_1
mpi 1.0 mpich
mpich 4.1.1 hbae89fd_0
mpmath 1.3.0 py311h06a4308_0
msgpack-python 1.0.3 py311hdb19cb5_0
multidict 6.0.4 py311h5eee18b_0
multipledispatch 0.6.0 py311h06a4308_0
multiprocess 0.70.14 py311h06a4308_0
munkres 1.1.4 py_0
mypy_extensions 1.0.0 py311h06a4308_0
mysql 5.7.24 h721c034_2
navigator-updater 0.4.0 py311h06a4308_1
nbclient 0.8.0 py311h06a4308_0
nbconvert 7.10.0 py311h06a4308_0
nbformat 5.9.2 py311h06a4308_0
ncurses 6.4 h6a678d5_0
nest-asyncio 1.5.6 py311h06a4308_0
networkx 3.1 py311h06a4308_0
nltk 3.8.1 py311h06a4308_0
notebook 7.0.6 py311h06a4308_0
notebook-shim 0.2.3 py311h06a4308_0
nspr 4.35 h6a678d5_0
nss 3.89.1 h6a678d5_0
numba 0.58.1 py311ha02d727_0
numexpr 2.8.7 py311h65dcdc2_0
numpy 1.26.2 py311h08b1b3b_0
numpy-base 1.26.2 py311hf175353_0
numpydoc 1.5.0 py311h06a4308_0
oniguruma 6.9.7.1 h27cfd23_0
openjpeg 2.4.0 h3ad879b_0
openpyxl 3.0.10 py311h5eee18b_0
openssl 3.0.12 h7f8727e_0
orc 1.7.4 hb3bc3d3_1
overrides 7.4.0 py311h06a4308_0
packaging 23.1 py311h06a4308_0
pandas 2.1.4 py311ha02d727_0
pandocfilters 1.5.0 pyhd3eb1b0_0
panel 1.3.1 py311h06a4308_0
param 2.0.1 py311h06a4308_0
parsel 1.6.0 py311h06a4308_0
parso 0.8.3 pyhd3eb1b0_0
partd 1.4.1 py311h06a4308_0
patch 2.7.6 h7b6447c_1001
patchelf 0.17.2 h6a678d5_0
pathlib 1.0.1 pyhd3eb1b0_1
pathspec 0.10.3 py311h06a4308_0
patsy 0.5.3 py311h06a4308_0
pcre 8.45 h295c915_0
pcre2 10.42 hebb0a14_0
pep8 1.7.1 py311h06a4308_1
pexpect 4.8.0 pyhd3eb1b0_3
pickleshare 0.7.5 pyhd3eb1b0_1003
pillow 10.0.1 py311ha6cbd5a_0
pip 23.2.1 py311h06a4308_0
pkce 1.0.3 py311h06a4308_0
pkginfo 1.9.6 py311h06a4308_0
platformdirs 3.10.0 py311h06a4308_0
plotly 5.9.0 py311h06a4308_0
pluggy 1.0.0 py311h06a4308_1
ply 3.11 py311h06a4308_0
prometheus_client 0.14.1 py311h06a4308_0
prompt-toolkit 3.0.36 py311h06a4308_0
prompt_toolkit 3.0.36 hd3eb1b0_0
protego 0.1.16 py_0
psutil 5.9.0 py311h5eee18b_0
ptyprocess 0.7.0 pyhd3eb1b0_2
pure_eval 0.2.2 pyhd3eb1b0_0
py-cpuinfo 9.0.0 py311h06a4308_0
py-lief 0.12.3 py311h6a678d5_0
pyarrow 11.0.0 py311hd8e8d9b_1
pyasn1 0.4.8 pyhd3eb1b0_0
pyasn1-modules 0.2.8 py_0
pybind11-abi 4 hd3eb1b0_1
pycodestyle 2.10.0 py311h06a4308_0
pycosat 0.6.6 py311h5eee18b_0
pycparser 2.21 pyhd3eb1b0_0
pyct 0.5.0 py311h06a4308_0
pycurl 7.45.2 py311hdbd6064_1
pydantic 1.10.12 py311h5eee18b_1
pydispatcher 2.0.5 py311h06a4308_2
pydocstyle 6.3.0 py311h06a4308_0
pyerfa 2.0.0 py311h5eee18b_0
pyflakes 3.0.1 py311h06a4308_0
pygments 2.15.1 py311h06a4308_1
pyjwt 2.4.0 py311h06a4308_0
pylint 2.16.2 py311h06a4308_0
pylint-venv 2.3.0 py311h06a4308_0
pyls-spyder 0.4.0 pyhd3eb1b0_0
pyodbc 4.0.39 py311h6a678d5_0
pyopenssl 23.2.0 py311h06a4308_0
pyparsing 3.0.9 py311h06a4308_0
pyqt 5.15.10 py311h6a678d5_0
pyqt5-sip 12.13.0 py311h5eee18b_0
pyqtwebengine 5.15.10 py311h6a678d5_0
pysocks 1.7.1 py311h06a4308_0
pytables 3.8.0 py311hb8ae3fc_3
pytest 7.4.0 py311h06a4308_0
python 3.11.5 h955ad1f_0
python-dateutil 2.8.2 pyhd3eb1b0_0
python-dotenv 0.21.0 py311h06a4308_0
python-fastjsonschema 2.16.2 py311h06a4308_0
python-json-logger 2.0.7 py311h06a4308_0
python-kaleido 0.2.1 py311h06a4308_0
python-libarchive-c 2.9 pyhd3eb1b0_1
python-lmdb 1.4.1 py311h6a678d5_0
python-lsp-black 1.2.1 py311h06a4308_0
python-lsp-jsonrpc 1.0.0 pyhd3eb1b0_0
python-lsp-server 1.7.2 py311h06a4308_0
python-slugify 5.0.2 pyhd3eb1b0_0
python-snappy 0.6.1 py311h6a678d5_0
python-tzdata 2023.3 pyhd3eb1b0_0
python-xxhash 2.0.2 py311h5eee18b_1
pytoolconfig 1.2.6 py311h06a4308_0
pytz 2023.3.post1 py311h06a4308_0
pyviz_comms 3.0.0 py311h06a4308_0
pywavelets 1.4.1 py311h5eee18b_0
pyxdg 0.27 pyhd3eb1b0_0
pyyaml 6.0.1 py311h5eee18b_0
pyzmq 25.1.0 py311h6a678d5_0
qdarkstyle 3.0.2 pyhd3eb1b0_0
qstylizer 0.2.2 py311h06a4308_0
qt-main 5.15.2 h53bd1ea_10
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