Comments (16)
Reminder to self - add R requirements file with all necessary packages.
from cellrank_reproducibility_preprint.
2 things:
- please remove the prefix in the environment.yaml file (last line) - it's specific to your paths
- give it a nicer name (e.g. cellrank_benchmarks) and make sure that once every NB has this env set as its kernel (so that I will get a message of unknown kernel if I haven't installed it previously)
from cellrank_reproducibility_preprint.
Hi Mike, okay, let's do that.
from cellrank_reproducibility_preprint.
Did you already try whether you can create a conda environment using this file?
from cellrank_reproducibility_preprint.
I've tried it just now, I can't, here's the message:
ResolvePackageNotFound:
- hdf5==1.10.6=nompi_haae91d6_101
- readline==8.0=h0678c8f_2
- libcxx==11.0.0=h439d374_0
- pysocks==1.7.1=py38h5347e94_2
- xz==5.2.5=haf1e3a3_1
- metis==5.1.0=hb1e8313_1006
- gmp==6.2.0=hb1e8313_3
- ncurses==6.2=hb1e8313_2
- freetype==2.10.3=ha233b18_0
- libxml2==2.9.10=h2c6e4a5_2
- gettext==0.19.8.1=h46ab8bc_1002
- numpy==1.19.2=py38h8ccc501_1
- sqlite==3.33.0=h960bd1c_1
- chardet==3.0.4=py38h5347e94_1008
- libiconv==1.16=haf1e3a3_0
- scalapack==2.0.2=hb7119d5_1009
- fontconfig==2.13.1=h79c0d67_1002
- icu==67.1=hb1e8313_0
- openssl==1.1.1h=haf1e3a3_0
- cairo==1.16.0=ha8983da_1005
- cffi==1.14.3=py38h9edaa1b_1
- glib==2.66.1=h39b9ebd_0
- mumps-mpi==5.2.1=hd105cc2_8
- pycairo==1.20.0=py38h26abc9d_1
- slepc4py==3.13.0=py38h71a7be8_2
- brotlipy==0.7.0=py38h94c058a_1001
- libffi==3.2.1=hb1e8313_1007
- cryptography==3.1.1=py38h52adbb4_0
- petsc4py==3.13.0=py38h026ade1_4
- python==3.8.6=hcfdab8c_0_cpython
- suitesparse==5.6.0=h0e59142_0
- parmetis==4.0.3=hbc1d92b_1005
- certifi==2020.6.20=py38h5347e94_2
- hypre==2.18.2=hc9ba2bc_1
- libopenblas==0.3.10=openmp_h63d9170_5
- pixman==0.38.0=h01d97ff_1003
- libgfortran==4.0.0=h50e675f_12
- setuptools==49.6.0=py38h5347e94_2
- tk==8.6.10=hb0a8c7a_1
- libgfortran4==7.5.0=h50e675f_12
- superlu_dist==6.2.0=h32cdba5_2
- tbb==2019.9=ha1b3eb9_1
- zlib==1.2.11=h7795811_1010
- libpng==1.6.37=hb0a8c7a_2
- llvm-openmp==11.0.0=h73239a0_1
- pcre==8.44=hb1e8313_0
- leidenalg==0.8.2=py38h869d7aa_1
- ptscotch==6.0.9=h682e2fc_1
- python-igraph==0.8.3=py38hcde0000_1
- superlu==5.2.1=hc209f47_1207
- slepc==3.13.4=h522eec7_0
- petsc==3.13.6=h60ba9c1_0
- scotch==6.0.9=h57311db_1
I think the issue is these parts =h57311db_1
and so on.
In the worst case, we can specify most of the packages (except for R or SLEPc/PETSc) as pip install in the yml. file.
Also, I'd like to keep this file minimal (I assume you just exported your current env and didn't prune it) - we can then later reuse this file for nbviewer
, if desired.
from cellrank_reproducibility_preprint.
Ok, my hypothesis was correct - after removing that part, only libfortran was not resolved (I've removed it, since it doesn't seem necessary).
I've also removed the prefix and changed the name to cellrank_reproducibility
, I hope you approve.
I've included cloudpickle
and memory_profiler
inside as well.
Could you please check if you can create the env?
from cellrank_reproducibility_preprint.
Re nbviewer
- I'd reformat the table as follows:
- left columns will always link to the notebooks in our repo, right to
nbviewer
(only where is makes sense) - the names are quite long, so in both columns, I'd only display only the figure number or shorten the names (i.e. only notebook name, not the relative path)
from cellrank_reproducibility_preprint.
Hi Mike, I agree with the nbviewer and with shortening the name - not to just the figure number though, let's give the full notebook name.
from cellrank_reproducibility_preprint.
Re the environment, I had to add quite a few more packages for the R stuff, will share with you later.
from cellrank_reproducibility_preprint.
@Marius1311 do you have the new environment? Does it include stuff I mention in #39 ?
from cellrank_reproducibility_preprint.
@Marius1311 I think CellRank and scVelo should be in the conda environment (especifally the latter since I think you're using specific commit). As for CellRank, nothing I did changes the defaults so 1.0.0 is fine from my side - I think from yours it should be as well, since in the plotting, you're using n_knots
in GAM
, which is officially out in 1.0.0.
from cellrank_reproducibility_preprint.
Re conda environment - I am also able to succesfully create it on the server (now I'm testing R package installation, seems to be working well so far). Stil think we need to include CellRank and scVelo inside.
I've added a README on how to create it, if you want, I can create a script that will validate if everything is installed and has the correct version.
from cellrank_reproducibility_preprint.
Hi Mike, CellRank version 1.0.0 is fine from my side. As for scVelo, I run everything with 0.2.2, so feel free to include that.
from cellrank_reproducibility_preprint.
We do not need a specific commit hash for scVelo, version 0.2.2 is fine.
from cellrank_reproducibility_preprint.
Thanks, done via theislab/cellrank_reproducibility@963be76
from cellrank_reproducibility_preprint.
Hi @michalk8 , I'm sending you my final conda environment in slack.
from cellrank_reproducibility_preprint.
Related Issues (20)
- Clean up runtime performance HOT 1
- Clean up FateID comparison benchmarking HOT 1
- Clean up STEMNET comparison benchmarking HOT 1
- Clean up Palantir comparison benchmarking HOT 1
- Clean up robustness analysis HOT 1
- Clean pancreas main notebook for figure 2
- Clean up delta cell differentiation, Fig. 3
- Test if the pipeline works HOT 1
- Update comparison benchmarks HOT 2
- Clean the GPCCA toy example notebook
- Clean the main uncertainty notebook HOT 1
- Repo size HOT 4
- Scattered to do's HOT 5
- Fix date formatting HOT 5
- Print all relevant versions HOT 1
- Clean up the lung analysis
- Package requirements HOT 1
- Prettify the table in the README a bit HOT 2
- Untitled Notebook in the root directory HOT 1
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from cellrank_reproducibility_preprint.