What is Python?
Python is an interpreted, high-level and general-purpose programming language. Python's design philosophy emphasizes code readability with its notable use of significant indentation.
What is Anaconda?
Anaconda is a freemium open source distribution of the Python and R programming languages for large-scale data processing, predictive analytics, and scientific computing, that aims to simplify package management and deployment. Its package management system is conda.
Which Python versions are available?
| Version | module name | Notes |
|---|
| 3.8.6 | python/3.8.6 | optimized for avx, avx2 and avx512 |
| 3.8.6 | anaconda3/2020.07 |
|
| 3.7.4 | anaconda3/2019.10 | same as cent7 + anaconda/python_3.6 |
[2021-08-06 07:15.02] ~
[alp514.sol](1009): module av
-------------------------------------------------------- /share/Apps/lusoft/share/spack/lmod/avx2/linux-centos8-x86_64/mvapich2/2.3.4-ksbev3r/Core ---------------------------------------------------------
adios2/2.6.0 hdf5/1.10.7 (D) kahip/2.00 netcdf-cxx/4.2 (D) openfoam/2006 petsc/3.14.1 scotch/6.0.10
boost/1.74.0 (D) horovod/0.21.3-cuda (D) mumps/5.3.3 netcdf-fortran/4.5.3 (D) paraview/5.8.1 py-mpi4py/3.0.3 superlu-dist/6.3.1
fftw/3.3.8 (D) hypre/2.20.0 netcdf-c/4.7.4 (D) opencv/4.2.0 parmetis/4.0.3 pytorch/1.7.0-cuda (D) tensorflow/2.4.1-cuda (D)
-------------------------------------------------------------------- /share/Apps/lusoft/share/spack/lmod/avx2/linux-centos8-x86_64/Core --------------------------------------------------------------------
angsd/0.933 canu/1.8 gatk/4.1.0.0 libarchive/3.4.3 ngstools/2019-06-24 picard/2.20.8 snpeff/5.0
arpack-ng/3.7.0 cuda/10.2.89 gcc/9.3.0 magma/2.5.4 nlopt/2.6.2 pilon/1.22 stacks/2.55
bamtools/2.5.1 cuda/11.0.2 gmap-gsnap/2020-06-01 masurca/3.4.2 nvhpc/20.9 py-pyparsing/2.4.2 star/2.7.0e
bartender/1.1 cuda/11.1.0 (D) gnuplot/5.2.8 metis/5.1.0 octave/5.2.0 pythia8/8303 subread/2.0.0
bayescan/2.1 cudnn/8.0.4.30-11.0-linux-x64 gsl/2.5 miniasm/2018-3-30 openbabel/3.0.0 python/3.8.6 (L) suite-sparse/5.7.2
bayestraits/3.0.2 eigen/3.3.8 hal/2.1 minimap2/2.14 openblas/0.3.10 qhull/2020.1 superlu-mt/3.1
bgc/1.03 exonerate/2.4.0 hdf5/1.10.7 mpich/3.3.2 openjdk/1.8.0_222-b10 qrupdate/1.1.2 superlu/5.2.1
blast-plus/2.9.0 express/1.5.2 hisat2/2.2.0 mvapich2/2.3.4 (L) openjdk/11.0.2 (D) r/4.0.3 swig/4.0.2 (D)
blat/35 fastjet/3.3.3 intel-mkl/2020.3.279 nccl/2.7.8-1 openmpi/4.0.5 rmcprofile/6.7.9 tabix/2013-12-16
boost/1.74.0 fastqc/0.11.7 intel/19.0.3 netcdf-c/4.7.4 paml/4.9j root/6.20.08 trimmomatic/0.39
bowtie/1.3.0 fastx-toolkit/0.0.14 intel/20.0.3 (D) netcdf-cxx/4.2 pear/0.9.11 rsem/1.3.1 trinity/2.12.0
bowtie2/2.4.1 fftw/3.3.8 jellyfish/2.2.7 netcdf-fortran/4.5.3 perl/5.32.0 salmon/0.14.1 vcftools/0.1.15
bwa/0.7.17 freebayes/1.1.0 kallisto/0.46.2 ngmlr/0.2.7 phast/1.4 samtools/1.10 vesta/3.4.6
------------------------------------------------------------------ /share/Apps/lusoft/share/spack/lmod/default/linux-centos8-x86_64/Core -------------------------------------------------------------------
anaconda3/2019.10 axel/2.16.1 graphviz/2.44.1 libxp/1.0.3 ncdu/1.13 pwgui/6.1 scons/3.1.2 tcl/8.6.10 valgrind/3.15.0
anaconda3/2020.07 (D) cmake/3.18.4 julia/1.5.2 motif/2.3.8 parallel/20200822 qcachegrind/20.08.0 screen/4.8.0 tk/8.6.10 vmd/1.9.3
aria2/1.35.0 ddd/3.3.12 krb5/1.18.2 nano/5.6.1 povray/3.7.0.10 rclone/1.53.3 swig/4.0.2 tmux/3.1b
--------------------------------------------------------------------------- /share/Apps/share/Modules/lmod/applications/licensed ---------------------------------------------------------------------------
abaqus/2019 cactus/1.2.3 comsol/5.4 guppy/3.1.5-gpu guppy/4.0.14 (D) mathematica/12.0 simmodeler/8.0 xds/feb2021 (D)
ansys/20.2 cactus/1.3.0 (D) gaussian/g09 (D) guppy/3.1.5 gurobi/8.1.1 matlab/R2020a stata/15 xds/jan2020
ansys/21.1 (D) ccp4/7.0 gaussian/g16 guppy/4.0.14-gpu knitro/10.3.0 phenix/1.16 sysweld/2020.5
---------------------------------------------------------------------------------- /share/Apps/share/Modules/lmod/default ----------------------------------------------------------------------------------
cent7 gpu hawk hawkgpu sol solgpu soltools
--------------------------------------------------------------- /share/Apps/share/Modules/lmod/linux-centos8-x86_64/py_venv/pythonapps/avx2 ----------------------------------------------------------------
all htseq/0.11.2-m5yqkbo matplotlib/3.3.3-dttvy5f (D) pandas/1.1.4-sdbbcxk pytorch/1.7.0-cuda seaborn/0.9.0-7xrppb4
biopython/1.73-aoor5vo jupyter/1.0.0-7ew3qb6 mdanalysis/1.0.0-tfngrft phonopy/1.10.0-iuaj2xc scikit-build/0.10.0-vww4qdm six/1.15.0-obed3ik
cclib/1.5.post1-wv3arnb jupyterlab/2.2.7-ln6bc44 moltemplate/2.5.8-iclz2ic pip/20.2-ig2u7ky scikit-image/0.17.2-qhu4bnf tensorflow/2.4.1-cuda
cython/0.29.21-trlkbz5 keras/2.2.4-cuda-rihsv3p multiqc/1.7-xi6ehki porechop/0.2.4-tgrse4w scikit-learn/0.23.2-nnpi22y theano/1.0.4-cuda-srh7rqj
dask/2.16.0-hcixvbx lxml/4.5.2-2d2z266 numba/0.50.1-orbwfra pyparsing/2.4.2-yktitpw scikit-optimize/0.5.2-xngjbiq virtualenv/16.7.6-yh3ujrd
horovod/0.21.3-cuda matplotlib/2.2.5-fimnl7l numpy/1.19.4-hyxetpw pyspark/3.0.1-f3qh2hw scipy/1.5.4-fbs3ffk virtualenvwrapper/4.8.2-vozt6md
Where:
L: Module is loaded
D: Default Module
Use "module spider" to find all possible modules and extensions.
Use "module keyword key1 key2 ..." to search for all possible modules matching any of the "keys".
[2021-08-06 07:18.07] ~
[alp514.sol](1012): module av
-------------------------------------------------------------------- /share/Apps/lusoft/share/spack/lmod/avx2/linux-centos8-x86_64/Core --------------------------------------------------------------------
angsd/0.933 canu/1.8 gatk/4.1.0.0 libarchive/3.4.3 ngstools/2019-06-24 picard/2.20.8 snpeff/5.0
arpack-ng/3.7.0 cuda/10.2.89 gcc/9.3.0 magma/2.5.4 nlopt/2.6.2 pilon/1.22 stacks/2.55
bamtools/2.5.1 cuda/11.0.2 gmap-gsnap/2020-06-01 masurca/3.4.2 nvhpc/20.9 py-pyparsing/2.4.2 star/2.7.0e
bartender/1.1 cuda/11.1.0 (D) gnuplot/5.2.8 metis/5.1.0 octave/5.2.0 pythia8/8303 subread/2.0.0
bayescan/2.1 cudnn/8.0.4.30-11.0-linux-x64 gsl/2.5 miniasm/2018-3-30 openbabel/3.0.0 python/3.8.6 suite-sparse/5.7.2
bayestraits/3.0.2 eigen/3.3.8 hal/2.1 minimap2/2.14 openblas/0.3.10 qhull/2020.1 superlu-mt/3.1
bgc/1.03 exonerate/2.4.0 hdf5/1.10.7 mpich/3.3.2 openjdk/1.8.0_222-b10 qrupdate/1.1.2 superlu/5.2.1
blast-plus/2.9.0 express/1.5.2 hisat2/2.2.0 mvapich2/2.3.4 openjdk/11.0.2 (D) r/4.0.3 swig/4.0.2 (D)
blat/35 fastjet/3.3.3 intel-mkl/2020.3.279 nccl/2.7.8-1 openmpi/4.0.5 rmcprofile/6.7.9 tabix/2013-12-16
boost/1.74.0 fastqc/0.11.7 intel/19.0.3 netcdf-c/4.7.4 paml/4.9j root/6.20.08 trimmomatic/0.39
bowtie/1.3.0 fastx-toolkit/0.0.14 intel/20.0.3 (D) netcdf-cxx/4.2 pear/0.9.11 rsem/1.3.1 trinity/2.12.0
bowtie2/2.4.1 fftw/3.3.8 jellyfish/2.2.7 netcdf-fortran/4.5.3 perl/5.32.0 salmon/0.14.1 vcftools/0.1.15
bwa/0.7.17 freebayes/1.1.0 kallisto/0.46.2 ngmlr/0.2.7 phast/1.4 samtools/1.10 vesta/3.4.6
------------------------------------------------------------------ /share/Apps/lusoft/share/spack/lmod/default/linux-centos8-x86_64/Core -------------------------------------------------------------------
anaconda3/2019.10 axel/2.16.1 graphviz/2.44.1 libxp/1.0.3 ncdu/1.13 pwgui/6.1 scons/3.1.2 tcl/8.6.10 valgrind/3.15.0
anaconda3/2020.07 (L,D) cmake/3.18.4 julia/1.5.2 motif/2.3.8 parallel/20200822 qcachegrind/20.08.0 screen/4.8.0 tk/8.6.10 vmd/1.9.3
aria2/1.35.0 ddd/3.3.12 krb5/1.18.2 nano/5.6.1 povray/3.7.0.10 rclone/1.53.3 swig/4.0.2 tmux/3.1b
--------------------------------------------------------------------------- /share/Apps/share/Modules/lmod/applications/licensed ---------------------------------------------------------------------------
abaqus/2019 cactus/1.2.3 comsol/5.4 guppy/3.1.5-gpu guppy/4.0.14 (D) mathematica/12.0 simmodeler/8.0 xds/feb2021 (D)
ansys/20.2 cactus/1.3.0 (D) gaussian/g09 (D) guppy/3.1.5 gurobi/8.1.1 matlab/R2020a stata/15 xds/jan2020
ansys/21.1 (D) ccp4/7.0 gaussian/g16 guppy/4.0.14-gpu knitro/10.3.0 phenix/1.16 sysweld/2020.5
---------------------------------------------------------------------------------- /share/Apps/share/Modules/lmod/default ----------------------------------------------------------------------------------
cent7 gpu hawk hawkgpu sol solgpu soltools
------------------------------------------------------------------- /share/Apps/share/Modules/lmod/linux-centos8-x86_64/py_venv/2020.07 --------------------------------------------------------------------
conda/biofluids conda/bioinformatics conda/biostats conda/chem conda/mldl conda/nlp conda/r (D)
Where:
L: Module is loaded
D: Default Module
Use "module spider" to find all possible modules and extensions.
Use "module keyword key1 key2 ..." to search for all possible modules matching any of the "keys".
Seminar Slides
What's the difference between python and anaconda3 modules?
Python can be built by compiling the source code or by installing binaries from the Anaconda Python Distribution. Compiled python i.e. python/3.8.6 is built using GNU compiler and optimized for the underlying CPU architecture. Anaconda Python is most likely unoptimized or built for generic x86_64 architecture and can be slower than compiled python.
If you use tensorflow from one of the anaconda modules, you might see the following warning "Your CPU supports instructions that this TensorFlow binary was not compiled to use: SSE4.1 SSE4.2 AVX AVX2 AVX512F FMA". SSE4/AVX provide double/quadruple the FLOPs compared to generic x86_64 while AVX2/AVX512 double/quadruples the AVX FLOPS at the expense of cpu speed. If you use python packages from the anaconda3 modules, you are most likely using unoptimized binaries. To use MPI enabled versions of Tensorflow, PyTorch, Py4MPI and Horovod, unload the intel modules and reload mvapich2/mpich/openmpi.
List of Python packages (Updated on 12/10/21)
The python/3.8.6 module is loaded by default. To use packages listed under that module, run the command module load all. To use MPI enabled packages, mpi4py, horovod, pytorch and tensorflow, you need to unload the intel module if loaded and load one of the mpi modules - mpich, mvapich2 or openmpi.
For others, first load the anaconda3/2020.07 module using module load anaconda3/2020.07 followed by any one of the conda modules for e.g. module load conda/chem.
You can load both at the same time for eg. module load python/3.8.6 all OR module load anaconda3/2020.07 conda/bioinformatics. If you get an error, load them sequentially.
The conda/spark module was built for use with Apache Spark and provides R packages such as sparklyr
Package | anaconda3/2020.07 | conda/biofluids | conda/bioinformatics | conda/biostats | conda/chem | conda/mldl | conda/nlp | conda/spark | python/3.8.6+all |
|---|
absl-py |
|
|
| 0.13.0 |
| 0.10.0 |
|
| 0.10.0 |
aiohttp |
|
|
| 3.7.4.post0 |
| 3.7.3 |
|
|
|
alabaster | 0.7.12 |
|
|
|
|
|
| 0.7.12 |
|
amset |
|
|
|
| 0.3.0 |
|
|
|
|
anaconda-client | 1.7.2 |
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|
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|
anaconda-navigator | 1.9.12 |
|
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anaconda-project | 0.8.3 |
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|
|
anyio |
| 3.1.0 | 3.1.0 | 3.3.0 | 3.1.0 | 3.1.0 | 3.1.0 | 3.4.0 |
|
APScheduler |
|
|
|
| 3.6.3 |
|
|
|
|
argh | 0.26.2 |
|
|
|
|
|
| 0.26.2 |
|
argon2-cffi |
| 20.1.0 | 20.1.0 | 20.1.0 | 20.1.0 | 20.1.0 | 20.1.0 | 21.1.0 | 20.1.0 |
arrow |
|
|
|
|
|
|
| 1.2.1 |
|
arviz |
|
|
| 0.11.2 |
|
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asciinema |
|
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|
|
|
| 2.0.2 |
ase |
|
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| 3.20.1 |
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asn1crypto | 1.3.0 |
|
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astor |
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| 0.8.1 |
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astroid | 2.4.2 |
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| 2.9.0 |
|
astropy | 4.0.1.post1 |
|
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|
astunparse |
|
|
|
| 1.6.3 | 1.6.3 |
|
| 1.6.3 |
async-generator |
| 1.10 | 1.10 | 1.10 | 1.10 | 1.10 | 1.10 | 1.10 | 1.10 |
async-timeout |
|
|
| 3.0.1 |
| 3.0.1 |
|
|
|
atomicwrites | 1.4.0 |
|
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| 1.4.0 |
|
attrs | 19.3.0 | 20.3.0 | 20.3.0 | 21.2.0 | 20.3.0 | 20.3.0 | 20.3.0 | 21.2.0 | 20.3.0 |
autopep8 | 1.5.3 |
|
|
|
|
|
| 1.6.0 |
|
Babel | 2.8.0 | 2.9.1 | 2.9.1 | 2.9.1 | 2.9.1 | 2.9.1 | 2.9.1 | 2.9.1 | 2.7.0 |
backcall | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.1.0 |
backports.functools-lru-cache | 1.6.4 | 1.6.1 | 1.6.1 | 1.6.4 | 1.6.1 | 1.6.1 | 1.6.1 | 1.6.4 |
|
backports.shutil-get-terminal-size | 1.0.0 |
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backports.tempfile | 1.0 |
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backports.weakref | 1.0.post1 |
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barcode-splitter |
|
| 0.18.6 |
|
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beautifulsoup4 | 4.9.1 |
|
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| 4.9.3 |
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binaryornot |
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| 0.4.4 |
|
biopython |
|
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| 1.78 |
|
|
| 1.73 |
bitarray | 1.4.0 |
|
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bkcharts | 0.2 |
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black |
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|
| 21.11b1 |
|
bleach | 3.1.5 | 3.2.1 | 3.2.1 | 4.0.0 | 3.2.1 | 3.2.1 | 3.2.1 | 4.1.0 | 3.1.0 |
blinker |
|
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| 1.4 |
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bokeh | 2.1.1 |
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boltons |
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| 21.0.0 |
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BoltzTraP2 |
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| 20.7.1 |
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boto | 2.49.0 |
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Bottleneck | 1.3.2 |
|
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|
|
| 1.2.1 |
brotlipy | 0.7.0 | 0.7.0 | 0.7.0 | 0.7.0 | 0.7.0 | 0.7.0 | 0.7.0 | 0.7.0 |
|
cached-property |
|
|
|
| 1.5.1 |
|
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| 1.5.2 |
cachetools |
|
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| 4.2.2 |
| 4.1.1 |
|
|
|
cclib |
|
|
|
| 1.6.4 |
|
|
| 1.5.post1 |
certifi | 2020.6.20 | 2021.5.30 | 2021.5.30 | 2021.5.30 | 2021.5.30 | 2021.10.8 | 2021.5.30 | 2021.10.8 | 2020.6.20 |
cffi | 1.14.0 | 1.14.3 | 1.14.3 | 1.14.6 | 1.14.3 | 1.14.3 | 1.14.3 | 1.15.0 | 1.14.3 |
cftime |
|
|
| 1.5.0 | 1.3.0 |
|
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|
|
chardet | 3.0.4 | 3.0.4 | 3.0.4 | 4.0.0 | 3.0.4 | 3.0.4 | 3.0.4 | 4.0.0 | 3.0.4 |
charset-normalizer |
|
|
| 2.0.0 |
|
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| 2.0.9 |
|
click | 7.1.2 |
| 7.1.2 | 8.0.1 | 7.1.2 | 7.1.2 |
| 8.0.3 | 7.1.2 |
click-plugins |
|
|
| 1.1.1 |
|
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cligj |
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| 0.7.2 |
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cloudpickle | 1.5.0 |
|
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| 1.6.0 | 1.6.0 |
| 2.0.0 | 1.2.1 |
clyent | 1.2.2 |
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colorama | 0.4.3 | 0.4.4 | 0.4.4 | 0.4.4 | 0.4.4 | 0.4.4 | 0.4.4 | 0.4.4 | 0.4.4 |
coloredlogs |
|
| 15.0 |
|
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colormath |
|
| 3.0.0 |
|
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commonmark |
|
| 0.9.1 |
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conda | 4.10.3 |
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conda-build | 3.18.11 |
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conda-package-handling | 1.7.3 |
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conda-verify | 3.4.2 |
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configobj |
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| 5.0.6 |
contextlib2 | 0.6.0.post1 |
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cookiecutter |
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| 1.6.0 |
|
covidcast |
|
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| 0.1.5 |
|
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cryptography | 2.9.2 | 3.2.1 | 3.2.1 | 3.4.7 | 3.2.1 | 3.2.1 | 3.2.1 | 36.0.0 | 3.3.2 |
cycler | 0.10.0 | 0.10.0 | 0.10.0 | 0.10.0 | 0.10.0 | 0.10.0 | 0.10.0 | 0.11.0 | 0.10.0 |
Cython | 0.29.21 |
|
| 0.29.17 | 0.29.21 |
|
|
| 0.29.21 |
cytoolz | 0.10.1 |
|
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| 0.11.0 |
|
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dask | 2.20.0 |
|
|
| 2021.6.2 | 2.30.0 |
|
| 2.16.0 |
dataclasses |
|
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| 0.8 |
|
debugpy |
|
|
| 1.4.1 |
|
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| 1.5.1 |
|
decorator | 4.4.2 | 4.4.2 | 4.4.2 | 5.0.9 | 4.4.2 | 4.4.2 | 4.4.2 | 5.1.0 | 4.4.2 |
defusedxml | 0.6.0 | 0.6.0 | 0.6.0 | 0.7.1 | 0.6.0 | 0.6.0 | 0.6.0 | 0.7.1 | 0.6.0 |
delphi-epidata |
|
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| 0.2.6 |
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descartes |
|
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| 1.1.0 |
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diff-match-patch | 20200713 |
|
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| 20200713 |
|
dill |
|
|
| 0.3.4 | 0.3.4 |
|
|
| 0.3.1.dev0 |
diskcache |
|
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| 4.1.0 |
distributed | 2.20.0 |
|
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| 2.10.0 |
docutils | 0.16 |
|
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| 0.16 |
|
eliot |
|
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| 1.13.0 |
|
|
|
|
entrypoints | 0.3 | 0.3 | 0.3 | 0.3 | 0.3 | 0.3 | 0.3 | 0.3 | 0.3 |
epiweeks |
|
|
| 2.1.2 |
|
|
|
|
|
et-xmlfile | 1.0.1 |
|
|
|
|
|
|
|
|
fastcache | 1.1.0 |
|
|
|
|
|
|
|
|
fastprogress |
|
|
| 1.0.0 |
|
|
|
|
|
filelock | 3.0.12 |
|
| 3.0.12 |
|
|
|
|
|
findspark |
|
|
|
|
|
|
| 1.4.2 |
|
Fiona |
|
|
| 1.8.20 |
|
|
|
|
|
flake8 | 3.8.3 |
|
|
|
|
|
| 4.0.1 |
|
Flask | 1.1.2 |
|
|
| 1.1.2 |
|
|
|
|
flatbuffers |
|
|
| 2.0 |
|
|
|
| 20210514195623 |
fonttools |
|
|
|
|
|
|
| 4.28.3 |
|
fsspec | 0.7.4 |
|
|
| 2021.6.0 |
|
|
| 0.7.3 |
future | 0.18.2 |
| 0.18.2 |
| 0.18.2 |
|
| 0.18.2 | 0.18.2 |
gast |
|
|
|
|
| 0.3.3 |
|
| 0.3.3 |
geomm |
|
|
|
| 0.2.0 |
|
|
|
|
geopandas |
|
|
| 0.9.0 |
|
|
|
|
|
gevent | 20.6.2 |
|
|
|
|
|
|
|
|
gitdb | 4.0.7 | 4.0.7 | 4.0.7 | 4.0.7 | 4.0.7 | 4.0.7 | 4.0.7 | 4.0.9 | 4.0.7 |
GitPython | 3.1.18 | 3.1.17 | 3.1.17 | 3.1.18 | 3.1.17 | 3.1.17 | 3.1.17 | 3.1.24 | 3.1.18 |
glob2 | 0.7 |
|
|
|
|
|
|
|
|
globus-cli |
|
|
|
|
|
|
|
| 2.1.0 |
globus-sdk |
|
|
|
|
|
|
|
| 2.0.1 |
gmpy2 | 2.0.8 |
|
|
| 2.1.0b1 |
|
|
|
|
google-auth |
|
|
|
|
| 1.23.0 |
|
|
|
google-auth-oauthlib |
|
|
|
|
| 0.4.1 |
|
|
|
google-pasta |
|
|
|
|
| 0.2.0 |
|
| 0.2.0 |
greenlet | 0.4.16 |
|
|
|
|
|
|
|
|
GridDataFormats |
|
|
|
| 0.5.0 |
|
|
| 0.5.0 |
grpcio |
|
|
|
|
| 1.33.2 |
|
| 1.32.0 |
gsd |
|
|
|
| 2.4.0 |
|
|
| 1.9.3 |
h5py | 2.10.0 |
|
|
| 2.10.0 | 2.10.0 |
|
| 2.10.0 |
HeapDict | 1.0.1 |
|
|
|
|
|
|
| 1.0.1 |
horovod |
|
|
|
|
|
|
|
| 0.21.3 |
html5lib | 1.1 |
|
|
|
|
|
|
|
|
HTSeq |
|
|
|
|
|
|
|
| 0.11.2 |
humanfriendly |
|
| 9.1 |
|
|
|
|
|
|
idna | 2.10 | 2.10 | 2.10 | 3.1 | 2.10 | 2.10 | 2.10 | 3.1 | 2.8 |
imagecodecs |
|
|
|
|
| 2020.5.30 |
|
|
|
imageio | 2.9.0 |
|
| 2.9.0 |
| 2.9.0 |
|
| 2.5.0 |
imageio-ffmpeg |
|
|
| 0.4.4 |
|
|
|
|
|
imagesize | 1.2.0 |
|
|
|
|
|
| 1.3.0 |
|
importlib-metadata | 1.7.0 | 3.0.0 | 3.0.0 | 4.6.3 | 3.0.0 | 3.0.0 | 3.0.0 | 4.8.2 |
|
importlib-resources |
|
|
|
|
|
|
| 5.4.0 |
|
inflection |
|
|
|
|
|
|
| 0.5.1 |
|
interpolation |
|
|
|
| 2.1.6 |
|
|
|
|
intervaltree | 3.0.2 |
|
|
|
|
|
| 3.0.2 |
|
ipykernel | 5.3.2 | 5.3.4 | 5.3.4 | 6.0.3 | 5.3.4 | 5.3.4 | 5.3.4 | 6.6.0 | 5.3.4 |
ipython | 7.16.1 | 7.19.0 | 7.19.0 | 7.26.0 | 7.19.0 | 7.19.0 | 7.19.0 | 7.30.1 | 7.18.1 |
ipython-genutils | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 | 0.2.0 |
ipywidgets | 7.5.1 | 7.5.1 | 7.5.1 | 7.6.3 | 7.5.1 | 7.5.1 | 7.5.1 | 7.6.5 | 7.5.1 |
isort | 4.3.21 |
|
|
|
|
|
| 5.10.1 |
|
itsdangerous | 1.1.0 |
|
|
| 1.1.0 |
|
|
|
|
jax |
|
|
| 0.2.17 |
|
|
|
|
|
jaxlib |
|
|
| 0.1.67 |
|
|
|
|
|
jdcal | 1.4.1 |
|
|
|
|
|
|
|
|
jedi | 0.17.1 | 0.17.2 | 0.17.2 | 0.18.0 | 0.17.2 | 0.17.2 | 0.17.2 | 0.18.1 | 0.13.3 |
jeepney | 0.4.3 |
|
|
|
|
|
| 0.7.1 |
|
jellyfish |
|
|
|
|
|
|
| 0.8.9 |
|
Jinja2 | 2.11.2 | 2.11.2 | 2.11.2 | 3.0.1 | 2.11.2 | 2.11.2 | 2.11.2 | 3.0.3 | 2.10.3 |
jinja2-time |
|
|
|
|
|
|
| 0.2.0 |
|
jmespath |
|
|
|
|
|
|
|
| 0.10.0 |
joblib | 0.16.0 |
|
| 1.0.1 | 0.17.0 | 0.17.0 |
|
| 0.14.0 |
json5 | 0.9.5 | 0.9.5 | 0.9.5 | 0.9.5 | 0.9.5 | 0.9.5 | 0.9.5 | 0.9.5 | 0.9.4 |
jsonschema | 3.2.0 | 3.2.0 | 3.2.0 | 3.2.0 | 3.2.0 | 3.2.0 | 3.2.0 | 4.2.1 | 3.2.0 |
jupyter | 1.0.0 |
|
| 1.0.0 |
|
|
| 1.0.0 | 1.0.0 |
jupyter-client | 6.1.6 | 6.1.7 | 6.1.7 | 6.1.12 | 6.1.7 | 6.1.7 | 6.1.7 | 7.1.0 | 6.1.7 |
jupyter-console | 6.1.0 | 6.2.0 | 6.2.0 | 6.4.0 | 6.2.0 | 6.2.0 | 6.2.0 | 6.4.0 | 6.1.0 |
jupyter-core | 4.6.3 | 4.7.0 | 4.7.0 | 4.7.1 | 4.7.0 | 4.7.0 | 4.7.0 | 4.9.1 | 4.6.3 |
jupyter-server |
| 1.8.0 | 1.8.0 | 1.10.2 | 1.8.0 | 1.8.0 | 1.8.0 | 1.13.1 |
|
jupyter-server-mathjax |
| 0.2.3 | 0.2.3 | 0.2.3 | 0.2.3 | 0.2.3 | 0.2.3 | 0.2.3 |
|
jupyterlab | 2.1.5 | 3.0.16 | 3.0.16 | 3.1.1 | 3.0.16 | 3.0.16 | 3.0.16 | 3.2.4 | 2.2.7 |
jupyterlab-git | 0.24.0 | 0.30.1 | 0.30.1 | 0.31.0 | 0.30.1 | 0.30.1 | 0.30.1 | 0.34.0 | 0.24.0 |
jupyterlab-pygments |
| 0.1.2 | 0.1.2 | 0.1.2 | 0.1.2 | 0.1.2 | 0.1.2 | 0.1.2 | 0.1.1 |
jupyterlab-server | 1.2.0 | 2.6.0 | 2.6.0 | 2.6.2 | 2.6.0 | 2.6.0 | 2.6.0 | 2.8.2 | 1.2.0 |
jupyterlab-widgets |
|
|
| 1.0.0 |
|
|
| 1.0.2 |
|
Keras |
|
|
|
|
| 2.4.3 |
|
| 2.2.4 |
Keras-Applications |
|
|
|
|
|
|
|
| 1.0.8 |
Keras-Preprocessing |
|
|
|
|
| 1.1.0 |
|
| 1.1.2 |
keyring | 21.2.1 |
|
|
|
|
|
| 23.4.0 |
|
kiwisolver | 1.2.0 | 1.3.1 | 1.3.1 | 1.3.1 | 1.3.1 | 1.3.1 | 1.3.1 | 1.3.2 | 1.1.0 |
klepto |
|
|
| 0.2.1 |
|
|
|
|
|
latexcodec |
|
|
|
| 2.0.1 |
|
|
|
|
lazy-object-proxy | 1.4.3 |
|
|
|
|
|
| 1.6.0 |
|
libarchive-c | 2.9 |
|
|
|
|
|
|
|
|
llvmlite | 0.33.0+1.g022ab0f | 0.34.0 |
|
| 0.35.0 |
|
|
| 0.34.0 |
locket | 0.2.0 |
|
|
| 0.2.1 |
|
|
| 0.2.0 |
loguru |
|
|
|
| 0.5.3 |
|
|
|
|
lxml | 4.5.2 |
|
|
|
|
|
|
| 4.5.2 |
lzstring |
|
| 1.0.4 |
|
|
|
|
|
|
Mako |
|
|
| 1.1.4 |
| 1.1.3 |
|
| 1.0.4 |
Markdown |
|
| 3.3.4 |
|
| 3.3.3 |
|
|
|
MarkupSafe | 1.1.1 | 1.1.1 | 1.1.1 | 2.0.1 | 1.1.1 | 1.1.1 | 1.1.1 | 2.0.1 | 1.1.1 |
matplotlib | 3.2.2 | 3.3.3 | 3.3.3 | 3.4.2 | 3.3.2 | 3.3.3 | 3.3.3 | 3.5.0 | 3.3.3 |
matplotlib-inline |
|
|
| 0.1.2 |
|
|
| 0.1.3 |
|
mccabe | 0.6.1 |
|
|
|
|
|
| 0.6.1 |
|
MDAnalysis |
|
|
|
| 1.0.0 |
|
|
| 1.0.0 |
mdtraj |
|
|
|
| 1.9.6 |
|
|
|
|
memory-profiler |
|
|
|
| 0.58.0 |
|
|
|
|
mistune | 0.8.4 | 0.8.4 | 0.8.4 | 0.8.4 | 0.8.4 | 0.8.4 | 0.8.4 | 0.8.4 | 0.8.4 |
mkl-fft | 1.1.0 |
|
|
|
|
|
|
|
|
mkl-random | 1.1.1 |
|
|
|
|
|
|
|
|
mkl-service | 2.3.0 |
|
| 2.4.0 |
| 2.3.0 |
|
|
|
mmtf-python |
|
|
|
| 1.1.2 |
|
|
| 1.1.2 |
mock | 4.0.2 |
|
|
|
|
|
|
| 3.0.5 |
molmod |
|
|
|
| 1.4.8 |
|
|
|
|
moltemplate |
|
|
|
|
|
|
|
| 2.5.8 |
monty |
|
|
|
| 4.0.2 |
|
|
|
|
more-itertools | 8.4.0 |
|
|
|
|
|
|
|
|
mpi4py |
|
|
|
|
|
|
|
| 3.0.3 |
mpmath | 1.1.0 |
|
| 1.2.1 | 1.1.0 |
|
|
|
|
msgpack | 1.0.0 |
|
|
| 1.0.0 |
|
|
| 1.0.0 |
multidict |
|
|
| 5.1.0 |
| 4.7.5 |
|
|
|
multipledispatch | 0.6.0 |
|
|
|
|
|
|
|
|
multiprocessing-logging |
|
|
|
| 0.3.1 |
|
|
|
|
multiqc |
|
| 1.10 |
|
|
|
|
|
|
munch |
|
|
| 2.5.0 |
|
|
|
|
|
munkres |
|
|
|
|
|
|
| 1.1.4 |
|
mypy-extensions |
|
|
|
|
|
|
| 0.4.3 |
|
mystic |
|
|
| 0.3.8 |
|
|
|
|
|
navigator-updater | 0.2.1 |
|
|
|
|
|
|
|
|
nbclassic |
| 0.3.1 | 0.3.1 | 0.3.1 | 0.3.1 | 0.3.1 | 0.3.1 | 0.3.4 |
|
nbclient |
| 0.5.1 | 0.5.1 | 0.5.3 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.9 | 0.5.0 |
nbconvert | 5.6.1 | 6.0.7 | 6.0.7 | 6.1.0 | 6.0.7 | 6.0.7 | 6.0.7 | 6.3.0 | 6.0.1 |
nbdime | 2.1.0 | 3.1.0 | 3.1.0 | 3.1.0 | 3.1.0 | 3.1.0 | 3.1.0 | 3.1.1 | 2.1.0 |
nbformat | 5.0.7 | 5.0.8 | 5.0.8 | 5.1.3 | 5.0.8 | 5.0.8 | 5.0.8 | 5.1.3 | 5.0.7 |
ndim |
|
|
|
| 0.1.4 |
|
|
|
|
nest-asyncio |
| 1.4.3 | 1.4.3 | 1.5.1 | 1.4.3 | 1.4.3 | 1.4.3 | 1.5.4 | 1.4.0 |
netCDF4 |
|
|
| 1.5.7 | 1.5.4 |
|
|
|
|
networkx | 2.4 |
| 2.5 |
| 2.5.1 | 2.5 |
|
| 2.4 |
nltk | 3.5 |
|
|
|
|
| 3.4.4 |
|
|
nose | 1.3.7 |
|
|
|
|
|
|
| 1.3.7 |
notebook | 6.0.3 | 6.1.5 | 6.1.5 | 6.4.0 | 6.1.5 | 6.1.5 | 6.1.5 | 6.4.6 | 6.1.4 |
numba | 0.50.1 | 0.51.2 |
|
| 0.52.0 |
|
|
| 0.50.1 |
numexpr | 2.7.1 |
|
|
|
|
|
|
| 2.7.0 |
numpy | 1.18.5 | 1.19.4 | 1.19.4 | 1.19.5 | 1.19.4 | 1.19.4 | 1.19.4 | 1.21.4 | 1.19.4 |
numpydoc | 1.1.0 |
|
|
|
|
|
| 1.1.0 |
|
oauthlib |
|
|
|
|
| 3.0.1 |
|
|
|
olefile | 0.46 | 0.46 | 0.46 | 0.46 | 0.46 | 0.46 | 0.46 | 0.46 |
|
OpenMM |
|
|
|
| 7.5.1 |
|
|
|
|
openmm-systems |
|
|
|
| 0.0.0 |
|
|
|
|
openpyxl | 3.0.4 |
|
|
|
|
|
|
|
|
opt-einsum |
|
|
| 3.3.0 |
| 0+untagged.61.gd905544.dirty |
|
| 3.3.0 |
orthopy |
|
|
|
| 0.8.4 |
|
|
|
|
packaging | 20.4 | 20.4 | 20.4 | 21.0 | 20.4 | 20.4 | 20.4 | 21.3 | 21.0 |
palettable |
|
|
|
| 3.3.0 |
|
|
|
|
pandas | 1.0.5 | 1.1.4 | 1.1.4 | 1.3.1 | 1.1.4 | 1.1.4 | 1.1.4 | 1.3.4 | 1.1.4 |
pandocfilters | 1.4.2 | 1.4.2 | 1.4.2 | 1.4.2 | 1.4.2 | 1.4.2 | 1.4.2 | 1.5.0 | 1.4.2 |
parso | 0.7.0 | 0.7.1 | 0.7.1 | 0.8.2 | 0.7.1 | 0.7.1 | 0.7.1 | 0.8.3 | 0.6.1 |
partd | 1.1.0 |
|
|
| 1.2.0 |
|
|
| 1.1.0 |
path | 13.1.0 |
|
|
|
|
|
|
|
|
pathlib2 | 2.3.5 |
|
|
|
|
|
|
|
|
pathspec |
|
|
|
|
|
|
| 0.9.0 |
|
pathtools | 0.1.2 |
|
|
|
|
|
|
|
|
patsy | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.2 |
|
pbr |
|
|
|
|
|
|
|
| 2.0.0 |
pep8 | 1.7.1 |
|
|
|
|
|
|
|
|
periodictable |
|
|
|
| 1.5.2 |
|
|
|
|
petastorm |
|
|
|
|
|
|
|
| 0.9.8 |
pexpect | 4.8.0 | 4.8.0 | 4.8.0 | 4.8.0 | 4.8.0 | 4.8.0 | 4.8.0 | 4.8.0 | 4.7.0 |
phono3py |
|
|
|
| 1.21.0 |
|
|
|
|
phonopy |
|
|
|
| 2.8.1 |
|
|
| 1.10.0 |
pickleshare | 0.7.5 | 0.7.5 | 0.7.5 | 0.7.5 | 0.7.5 | 0.7.5 | 0.7.5 | 0.7.5 | 0.7.5 |
Pillow | 7.2.0 | 8.0.1 | 8.0.1 | 8.3.1 | 8.0.1 | 8.0.1 | 8.0.1 | 8.4.0 | 7.2.0 |
Pint |
|
|
|
| 0.17 |
|
|
|
|
pip | 20.1.1 | 20.2.4 | 20.2.4 | 21.2.2 | 20.2.4 | 20.2.4 | 20.2.4 | 21.3.1 | 20.2 |
pkginfo | 1.5.0.1 |
|
|
|
|
|
|
|
|
platformdirs |
|
|
|
|
|
|
| 2.3.0 |
|
plotly |
|
|
|
| 4.14.1 |
|
|
|
|
pluggy | 0.13.1 |
|
|
|
|
|
| 1.0.0 |
|
ply | 3.11 |
|
|
|
|
|
|
|
|
pmdarima |
|
|
| 1.8.1 |
|
|
|
|
|
porechop |
|
| 0.2.4 |
|
|
|
|
| 0.2.4 |
pox |
|
|
| 0.3.0 |
|
|
|
|
|
poyo |
|
|
|
|
|
|
| 0.5.0 |
|
prometheus-client | 0.8.0 | 0.9.0 | 0.9.0 | 0.11.0 | 0.9.0 | 0.9.0 | 0.9.0 | 0.12.0 | 0.7.1 |
prompt-toolkit | 3.0.5 | 3.0.8 | 3.0.8 | 3.0.19 | 3.0.8 | 3.0.8 | 3.0.8 | 3.0.24 | 2.0.9 |
protobuf |
|
|
|
|
| 3.13.0 |
|
| 3.12.2 |
psutil | 5.7.0 |
|
|
| 5.8.0 |
|
| 5.8.0 | 5.7.2 |
ptyprocess | 0.6.0 | 0.6.0 | 0.6.0 | 0.7.0 | 0.6.0 | 0.6.0 | 0.6.0 | 0.7.0 | 0.6.0 |
py | 1.9.0 |
|
|
|
|
|
|
| 1.8.0 |
py4j |
|
|
|
|
| 0.10.9.2 |
| 0.10.9.2 | 0.10.9 |
pyarrow |
|
|
|
|
| 2.0.0 |
| 5.0.0 | 0.17.1 |
pyasn1 |
|
|
|
|
| 0.4.8 |
|
|
|
pyasn1-modules |
|
|
|
|
| 0.2.7 |
|
|
|
pybind11 |
|
|
|
|
|
|
|
| 2.5.0 |
pybtex |
|
|
|
| 0.23.0 |
|
|
|
|
pycairo |
|
|
|
| 1.20.0 |
|
|
|
|
pycodestyle | 2.6.0 |
|
|
|
|
|
| 2.8.0 |
|
pycosat | 0.6.3 |
|
|
|
|
|
|
|
|
pycparser | 2.20 | 2.20 | 2.20 | 2.20 | 2.20 | 2.20 | 2.20 | 2.21 | 2.20 |
pycurl | 7.43.0.5 |
|
|
|
|
|
|
|
|
pydocstyle | 5.0.2 |
|
|
|
|
|
| 6.1.1 |
|
pyFFTW |
|
|
|
| 0.12.0 |
|
|
|
|
pyflakes | 2.2.0 |
|
|
|
|
|
| 2.4.0 |
|
Pygments | 2.6.1 | 2.7.2 | 2.7.2 | 2.9.0 | 2.7.2 | 2.7.2 | 2.7.2 | 2.10.0 | 2.6.1 |
pygpu |
|
|
| 0.7.6 |
| 0.7.6 |
|
| 0.7.6 |
PyJWT |
|
|
|
|
| 1.7.1 |
|
| 1.7.1 |
pylint | 2.5.3 |
|
|
|
|
|
| 2.12.2 |
|
pyls-spyder |
|
|
|
|
|
|
| 0.4.0 |
|
pymatgen |
|
|
|
| 2020.10.20 |
|
|
|
|
pymc3 |
|
|
| 3.11.2 |
|
|
|
|
|
Pympler |
|
|
|
| 0.9 |
|
|
|
|
pyodbc | 4.0.0-unsupported |
|
|
|
|
|
|
|
|
pyOpenSSL | 19.1.0 | 19.1.0 | 19.1.0 | 20.0.1 | 19.1.0 | 19.1.0 | 19.1.0 | 21.0.0 |
|
pyparsing | 2.4.7 | 2.4.7 | 2.4.7 | 2.4.7 | 2.4.7 | 2.4.7 | 2.4.7 | 3.0.6 | 2.4.2 |
pyproj |
|
|
| 3.1.0 |
|
|
|
|
|
PyQt5 |
| 5.12.3 | 5.12.3 | 5.12.3 | 5.12.3 | 5.12.3 | 5.12.3 | 5.12.3 | 5.13.1 |
PyQt5_sip |
|
|
| 4.19.18 |
|
|
| 4.19.18 |
|
PyQt5-sip |
| 4.19.18 | 4.19.18 |
| 4.19.18 | 4.19.18 | 4.19.18 |
| 4.19.21 |
PyQtChart |
| 5.12 | 5.12 | 5.12 | 5.12 | 5.12 | 5.12 | 5.12 |
|
PyQtWebEngine |
| 5.12.1 | 5.12.1 | 5.12.1 | 5.12.1 | 5.12.1 | 5.12.1 | 5.12.1 |
|
pyrsistent | 0.16.0 | 0.17.3 | 0.17.3 | 0.17.3 | 0.17.3 | 0.17.3 | 0.17.3 | 0.18.0 | 0.15.7 |
pysam |
|
|
|
|
|
|
|
| 0.15.2 |
PySocks | 1.7.1 | 1.7.1 | 1.7.1 | 1.7.1 | 1.7.1 | 1.7.1 | 1.7.1 | 1.7.1 |
|
pyspark |
|
|
|
|
| 3.2.0 |
| 3.2.0 | 3.0.1 |
pytest | 5.4.3 |
|
|
|
|
|
|
|
|
python-dateutil | 2.8.1 | 2.8.1 | 2.8.1 | 2.8.2 | 2.8.1 | 2.8.1 | 2.8.1 | 2.8.2 | 2.8.0 |
python-jsonrpc-server | 0.3.4 |
|
|
|
|
|
|
|
|
python-language-server | 0.34.1 |
|
|
|
|
|
|
|
|
python-lsp-black |
|
|
|
|
|
|
| 1.0.1 |
|
python-lsp-jsonrpc |
|
|
|
|
|
|
| 1.0.0 |
|
python-lsp-server |
|
|
|
|
|
|
| 1.3.2 |
|
pytz | 2020.1 | 2020.4 | 2020.4 | 2021.1 | 2020.4 | 2020.4 | 2020.4 | 2021.3 | 2020.1 |
PyWavelets | 1.1.1 |
|
|
|
| 1.1.1 |
|
| 1.1.1 |
pyxdg | 0.26 |
|
|
|
|
|
| 0.27 |
|
PyYAML | 5.3.1 |
| 5.4.1 |
| 5.3.1 | 5.3.1 |
| 6.0 | 5.3.1 |
pyzmq | 19.0.1 | 20.0.0 | 20.0.0 | 22.1.0 | 20.0.0 | 20.0.0 | 20.0.0 | 22.3.0 | 18.1.0 |
QDarkStyle | 2.8.1 |
|
|
|
|
|
| 3.0.2 |
|
qstylizer |
|
|
|
|
|
|
| 0.2.1 |
|
QtAwesome | 0.7.2 |
|
|
|
|
|
| 1.1.1 |
|
qtconsole | 4.7.5 | 4.7.7 | 4.7.7 | 5.1.1 | 4.7.7 | 4.7.7 | 4.7.7 | 5.2.1 |
|
QtPy | 1.9.0 | 1.9.0 | 1.9.0 | 1.9.0 | 1.9.0 | 1.9.0 | 1.9.0 | 1.11.3 |
|
quadpy |
|
|
|
| 0.16.2 |
|
|
|
|
regex | 2020.6.8 |
|
|
|
|
|
| 2021.11.10 |
|
requests | 2.24.0 | 2.25.0 | 2.25.0 | 2.26.0 | 2.25.0 | 2.25.0 | 2.25.0 | 2.26.0 | 2.24.0 |
requests-oauthlib |
|
|
|
|
| 1.3.0 |
|
|
|
requests-unixsocket |
|
|
| 0.2.0 |
|
|
|
|
|
retrying |
|
|
|
| 1.3.3 |
|
|
|
|
rich |
|
| 9.13.0 |
|
|
|
|
|
|
rope | 0.17.0 |
|
|
|
|
|
| 0.22.0 |
|
rsa |
|
|
|
|
| 4.6 |
|
|
|
Rtree | 0.9.4 |
|
|
|
|
|
| 0.9.7 |
|
ruamel-yaml | 0.15.87 |
|
|
|
|
|
|
|
|
ruamel.yaml |
|
|
|
| 0.16.12 |
|
|
|
|
ruamel.yaml.clib |
|
|
|
| 0.2.2 |
|
|
|
|
scikit-build |
|
|
|
|
|
|
|
| 0.10.0 |
scikit-image | 0.16.2 |
|
|
|
| 0.17.2 |
|
|
|
scikit-learn | 0.23.1 |
|
| 0.24.2 | 0.23.2 | 0.23.2 |
|
| 0.23.2 |
scikit-optimize |
|
|
|
|
|
|
|
| 0.5.2 |
scipy | 1.5.0 | 1.5.3 | 1.5.3 | 1.7.0 | 1.5.3 | 1.5.3 | 1.5.3 | 1.7.3 | 1.5.4 |
seaborn | 0.10.1 | 0.11.0 | 0.11.0 | 0.11.1 | 0.11.0 | 0.11.0 | 0.11.0 | 0.11.2 | 0.9.0 |
SecretStorage | 3.1.2 |
|
|
|
|
|
| 3.3.1 |
|
seekpath |
|
|
|
| 1.9.5 |
|
|
|
|
semver |
|
|
| 2.13.0 |
|
|
|
|
|
Send2Trash | 1.5.0 | 1.5.0 | 1.5.0 | 1.7.1 | 1.5.0 | 1.5.0 | 1.5.0 | 1.8.0 | 1.5.0 |
setuptools | 49.2.0.post20200714 | 49.6.0.post20201009 | 49.6.0.post20201009 | 49.6.0.post20210108 | 49.6.0.post20201009 | 49.6.0.post20201009 | 49.6.0.post20201009 | 59.4.0 | 50.3.2 |
Shapely |
|
|
| 1.7.1 |
|
|
|
|
|
simplegeneric | 0.8.1 |
|
|
|
|
|
|
|
|
simplejson |
|
| 3.17.2 |
|
|
|
|
|
|
singledispatch | 3.4.0.3 |
|
|
|
|
|
|
|
|
sip | 4.19.13 |
|
|
|
|
|
|
|
|
six | 1.15.0 | 1.15.0 | 1.15.0 | 1.16.0 | 1.15.0 | 1.15.0 | 1.15.0 | 1.16.0 | 1.15.0 |
smmap | 3.0.5 | 3.0.5 | 3.0.5 | 3.0.5 | 3.0.5 | 3.0.5 | 3.0.5 | 3.0.5 | 4.0.0 |
sniffio |
| 1.2.0 | 1.2.0 | 1.2.0 | 1.2.0 | 1.2.0 | 1.2.0 | 1.2.0 |
|
snowballstemmer | 2.0.0 |
|
|
|
|
|
| 2.2.0 |
|
sortedcollections | 1.2.1 |
|
|
|
|
|
|
|
|
sortedcontainers | 2.2.2 |
|
|
|
|
|
| 2.4.0 | 2.1.0 |
soupsieve | 2.0.1 |
|
|
| 2.0.1 |
|
|
|
|
spectra |
|
| 0.0.11 |
|
|
|
|
|
|
spglib |
|
|
|
| 1.16.0 |
|
|
|
|
Sphinx | 3.1.2 |
|
|
|
|
|
| 4.3.1 |
|
sphinxcontrib-applehelp | 1.0.2 |
|
|
|
|
|
| 1.0.2 |
|
sphinxcontrib-devhelp | 1.0.2 |
|
|
|
|
|
| 1.0.2 |
|
sphinxcontrib-htmlhelp | 1.0.3 |
|
|
|
|
|
| 2.0.0 |
|
sphinxcontrib-jsmath | 1.0.1 |
|
|
|
|
|
| 1.0.1 |
|
sphinxcontrib-qthelp | 1.0.3 |
|
|
|
|
|
| 1.0.3 |
|
sphinxcontrib-serializinghtml | 1.1.4 |
|
|
|
|
|
| 1.1.5 |
|
sphinxcontrib-websupport | 1.2.3 |
|
|
|
|
|
|
|
|
spyder | 4.1.4 |
|
|
|
|
|
| 5.2.0 |
|
spyder-kernels | 1.9.2 |
|
|
|
|
|
| 2.2.0 |
|
SQLAlchemy | 1.3.18 |
|
|
|
|
|
|
|
|
statsmodels | 0.11.1 | 0.12.1 | 0.12.1 | 0.11.1 | 0.12.1 | 0.12.1 | 0.12.1 | 0.13.1 |
|
stevedore |
|
|
|
|
|
|
|
| 1.28.0 |
sumo |
|
|
|
| 2.1.0 |
|
|
|
|
sympy | 1.6.1 |
|
| 1.9 | 1.7.1 |
|
|
|
|
tables | 3.6.1 |
|
|
|
|
|
|
|
|
tabulate |
|
|
|
| 0.8.7 |
|
|
|
|
tamkin |
|
|
|
| 1.2.6 |
|
|
|
|
tblib | 1.6.0 |
|
|
|
|
|
|
| 1.6.0 |
Tempita |
|
|
|
| 0.5.3.dev0 |
|
|
|
|
tenacity |
|
|
| 8.0.1 |
|
|
|
|
|
tensorboard |
|
|
|
|
| 2.4.0 |
|
|
|
tensorboard-plugin-wit |
|
|
|
|
| 1.7.0 |
|
|
|
tensorflow |
|
|
|
|
| 2.2.0 |
|
| 2.4.1 |
tensorflow-estimator |
|
|
|
|
| 2.2.0 |
|
|
|
termcolor |
|
|
|
|
| 1.1.0 |
|
| 1.1.0 |
terminado | 0.8.3 | 0.9.1 | 0.9.1 | 0.10.1 | 0.9.1 | 0.9.1 | 0.9.1 | 0.12.1 | 0.8.3 |
testpath | 0.4.4 | 0.4.4 | 0.4.4 | 0.5.0 | 0.4.4 | 0.4.4 | 0.4.4 | 0.5.0 | 0.4.2 |
textdistance |
|
|
|
|
|
|
| 4.2.2 |
|
Theano |
|
|
|
|
| 1.0.5 |
|
| 1.0.4 |
Theano-PyMC |
|
|
| 1.1.2 |
|
|
|
|
|
threadpoolctl | 2.1.0 |
|
| 2.2.0 | 2.1.0 | 2.1.0 |
|
| 2.0.0 |
three-merge |
|
|
|
|
|
|
| 0.1.1 |
|
tifffile |
|
|
|
|
| 2020.11.18 |
|
| 2020.10.1 |
tinycss2 |
|
|
|
|
|
|
| 1.1.1 |
|
toml | 0.10.1 |
|
|
|
|
|
| 0.10.2 |
|
tomli |
|
|
|
|
|
|
| 1.2.2 |
|
toolz | 0.10.0 |
|
|
| 0.11.1 | 0.11.1 |
|
| 0.9.0 |
torch |
|
|
|
|
| 1.4.0 |
|
| 1.7.0 |
tornado | 6.0.4 | 6.1 | 6.1 | 6.1 | 6.1 | 6.1 | 6.1 | 6.1 | 6.0.3 |
tqdm | 4.47.0 |
|
| 4.62.0 | 4.51.0 |
|
|
| 4.45.0 |
traitlets | 4.3.3 | 5.0.5 | 5.0.5 | 5.0.5 | 5.0.5 | 5.0.5 | 5.0.5 | 5.1.1 | 5.0.4 |
typed-ast |
|
|
|
|
|
|
| 1.5.1 |
|
typing_extensions |
|
|
|
|
|
|
| 4.0.1 |
|
typing-extensions | 3.7.4.2 | 3.10.0.0 | 3.7.4.3 | 3.10.0.0 | 3.10.0.0 | 3.7.4.3 | 3.10.0.0 |
| 3.7.4 |
tzlocal |
|
|
|
| 2.1 |
|
|
|
|
ujson | 1.35 |
|
|
|
|
|
| 4.2.0 |
|
uncertainties |
|
|
|
| 3.1.5 |
|
|
|
|
unicodecsv | 0.14.1 |
|
|
|
|
|
|
|
|
unicodedata2 |
|
|
|
|
|
|
| 13.0.0.post2 |
|
urllib3 | 1.25.9 | 1.25.11 | 1.25.11 | 1.26.6 | 1.25.11 | 1.25.11 | 1.25.11 | 1.26.7 | 1.25.6 |
virtualenv |
|
|
|
|
|
|
|
| 16.7.6 |
virtualenv-clone |
|
|
|
|
|
|
|
| 0.2.6 |
virtualenvwrapper |
|
|
|
|
|
|
|
| 4.8.2 |
vtk |
|
|
|
| 9.0.1 |
|
|
|
|
watchdog | 0.10.3 |
|
|
|
|
|
| 2.1.6 |
|
wcwidth | 0.2.5 | 0.2.5 | 0.2.5 | 0.2.5 | 0.2.5 | 0.2.5 | 0.2.5 | 0.2.5 | 0.1.7 |
webencodings | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 | 0.5.1 |
websocket-client |
| 0.57.0 | 0.57.0 | 0.57.0 | 0.57.0 | 0.57.0 | 0.57.0 | 1.2.3 |
|
wepy |
|
|
|
| 1.1.0 |
|
|
|
|
Werkzeug | 1.0.1 |
|
|
| 1.0.1 | 1.0.1 |
|
|
|
wheel | 0.34.2 | 0.35.1 | 0.35.1 | 0.36.2 | 0.35.1 | 0.35.1 | 0.35.1 | 0.37.0 | 0.36.2 |
whichcraft |
|
|
|
|
|
|
| 0.6.1 |
|
widgetsnbextension | 3.5.1 | 3.5.1 | 3.5.1 | 3.5.1 | 3.5.1 | 3.5.1 | 3.5.1 | 3.5.2 | 3.5.1 |
wrapt | 1.11.2 |
|
|
|
| 1.12.1 |
| 1.13.3 | 1.12.1 |
wurlitzer | 2.0.1 |
|
|
|
|
|
| 3.0.2 |
|
xarray |
|
|
| 0.19.0 |
|
|
|
|
|
xlrd | 1.2.0 |
|
|
|
|
|
|
|
|
XlsxWriter | 1.2.9 |
|
|
|
|
|
|
|
|
xlwt | 1.3.0 |
|
|
|
|
|
|
|
|
xmltodict | 0.12.0 |
|
|
|
|
|
|
|
|
yapf | 0.30.0 |
|
|
|
|
|
| 0.31.0 |
|
yarl |
|
|
| 1.6.3 |
| 1.6.3 |
|
|
|
zict | 2.0.0 |
|
|
|
|
|
|
| 1.0.0 |
zipp | 3.1.0 | 3.4.0 | 3.4.0 | 3.5.0 | 3.4.0 | 3.4.0 | 3.4.0 | 3.6.0 |
|
zope.event | 4.4 |
|
|
|
|
|
|
|
|
zope.interface | 4.7.1 |
|
|
| 5.4.0 |
|
|
|
|
Which module should I use?
Please check if the package you want to use is available by running the command conda search <packagename> before emailing Research Computing staff to install a package. You can always create a new conda environment where you can install and maintain a set of python packages that are most useful for your research.
How to search for conda packages
conda list: see list of packages installed.
conda search modulename: see if modulename is available for conda to install
How to install python packages in my own directories
Let's suppose that you want to install a python package named test123 locally. You need to create a conda environment and install test123 (and any other packages) to that environment.
conda create --name mycondaenv test123
If you omit test123, then an empty environment is created.
Useful commands:
conda env list : To see list of different conda environments. Default environment has a star (*) in the second field
conda activate mycondaenv: To switch to the mycondaenv environment and use the test123 package
conda deactivate mycondaenv: To switch to the root environment
If you need to install additional python packages within this environment, then use conda to install the packages within that environment
conda activate mycondaenv
conda install mypythonpackage
For more information, see the Conda User Guide
How do I use Jupyter Notebooks on Sol
Jupyter Notebooks are available using the Open OnDemand portal as well as the command line in interactive sessions .
How can I built my own python software stack using SPACK
Download SPACK to your home directory (If using another directory, replace $HOME)
git clone https://github.com/spack/spack
cd ${HOME}/spack
git checkout releases/v0.16
cp /share/Apps/usr/etc/spack/* ${HOME}/spack/etc/spack
Default target is x86_64. To build applications optimized for underlying cpu replace x86_64 on line 97 of packages.yaml with
- ivybridge for Ivybridge nodes i.e. debug partition (will run on all partitions)
- haswell for Haswell and Broadwell nodes i.e lts, im1080, eng, and engc partitions (will not run on debug partition)
- skylake_avx512 for Skylake and Cascade lake nodes only i.e. enge, im2080, health, chem, hawcpu, hawkgpu, hawkmem and infolab partitions
source ${HOME}/spack/share/spack/setup-env.sh
All python (r) packages have py- (r-) prefix
spack install py-jupyterlab
export MODULEPATH=${HOME}/spack/share/spack/modules/linux-centos8-x86_64:${MODULEPATH}
Visit SPACK Website for list of packages that can be built with SPACK.
