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GenProSeq #2304

Closed dongminjung closed 2 years ago

dongminjung commented 2 years ago

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bioc-issue-bot commented 2 years ago

Hi @dongminjung

Thanks for submitting your package. We are taking a quick look at it and you will hear back from us soon.

The DESCRIPTION file for this package is:

Package: GenProSeq
Type: Package
Title: Genearting Protein Sequences with Deep Generative Models
Description: Generative modeling for protein engineering is key to solving fundamental problems in synthetic biology, medicine, and material science. Machine learning has enabled us to generate useful protein sequences on a variety of scales. Generative models are machine learning methods which seek to model the distribution underlying the data, allowing for the generation of novel samples with similar properties to those on which the model was trained. Generative models of proteins can learn biologically meaningful representations helpful for a variety of downstream tasks. Furthermore, they can learn to generate protein sequences that have not been observed before and to assign higher probability to protein sequences that satisfy desired criteria. In this package, common deep generative models for protein sequences, such as variational autoencoder (VAE), generative adversarial networks (GAN), and autoregressive models are available. In the VAE and GAN, the Word2vec is used for embedding. The transformer encoder is applied to protein sequences for the autoregressive model.
Version: 0.99.0
Date: 2021-09-20
Authors@R: c(person(given="Dongmin", family="Jung", email="dmdmjung@gmail.com", role=c("cre", "aut"), comment = c(ORCID = "0000-0001-7499-8422")))
LazyData: TRUE
Depends: keras, mclust
Imports: tensorflow, word2vec, DeepPINCS, ttgsea, CatEncoders, reticulate, stats
Suggests: knitr, testthat, rmarkdown
License: Artistic-2.0
biocViews: Software, Proteomics
NeedsCompilation: no
VignetteBuilder: knitr
bioc-issue-bot commented 2 years ago

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bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "skipped, TIMEOUT, ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: d78ce9da3c561a61e964b2b9018ecc8268990de6

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "skipped, ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 3d2e39e56e82c431e555fe46627e8dacab281507

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "skipped, ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 44a3061d52c5a4b123abb4858704e77f6f5c3df8

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

nturaga commented 2 years ago

@dongminjung Issue another build report please. We'll try to see if the Windows error is resolved on the build system already.

Please note the release schedule that is posted here - http://bioconductor.org/developers/release-schedule/.

We'll try to get your package in before that.

lshep commented 2 years ago

We are closing this issue for inactivity. If you would like to continue the review process please comment here for the issue to be reopened.

bioc-issue-bot commented 2 years ago

This issue is being closed because there has been no progress for an extended period of time. You may reopen the issue when you have the time to actively participate in the review / submission process. Please also keep in mind that a package accepted to Bioconductor requires a commitment on your part to ongoing maintenance.

Thank you for your interest in Bioconductor.

bioc-issue-bot commented 2 years ago

Dear @dongminjung ,

We have reopened the issue to continue the review process. Please remember to push a version bump to git.bioconductor.org to trigger a new build.

lshep commented 2 years ago

You were asked to kick off a new build and didn't. also please see the october mailing list thread about using JAVA_HOME. https://stat.ethz.ch/pipermail/bioc-devel/2021-October/018594.html

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 786617b2bfc38ce90b01c4c24661bedb1f184e39

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 9693de32effe0c4863fa8030ed68981a94fb186f

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 7c0cf2518a357cdf853ea505b9d4747ff3690136

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

dongminjung commented 2 years ago

The issue for JAVA_HOME is resolved by adding .BBSoptions. However, there is another issue. Please, find that. Thanks.

hpages commented 2 years ago

Hi @dongminjung,

GenProSeq::fit_ART() calls DeepPINCS::get_seq_encode_pad() internally which does not seem to work properly on Windows.

In a fresh R session on riesling1:

library(DeepPINCS)
get_seq_encode_pad("MSPLNQSAEGLPQEASNRSLNATETSEAW", 10)  # 1st attempt fails!
# 2021-11-30 02:21:00.436544: W tensorflow/stream_executor/platform/default/dso_loader.cc:59] Could not load dynamic library 'cudart64_101.dll'; dlerror: cudart64_101.dll not found
# 2021-11-30 02:21:00.438851: I tensorflow/stream_executor/cuda/cudart_stub.cc:29] Ignore above cudart dlerror if you do not have a GPU set up on your machine.
# Loaded Tensorflow version 2.3.1
# Error:

Unfortunately the error message is empty.

Interestingly, the 2nd attempt works:

get_seq_encode_pad("MSPLNQSAEGLPQEASNRSLNATETSEAW", 10)  # 2nd attempt works!
# $sequences_encode_pad
#      [,1] [,2] [,3] [,4] [,5] [,6] [,7] [,8] [,9] [,10]
# [1,]    4    6    1   11    2   11   10    2    1    12
#
# $lenc
# An object of class "LabelEncoder.Character"
# Slot "classes":
#  [1] "A" "E" "G" "L" "M" "N" "P" "Q" "R" "S" "T" "W"
#
# Slot "type":
# [1] "character"
#
# Slot "mapping":
#   classes ind
# 1        A   1
# 2        E   2
# 3        G   3
# 4        L   4
# 5        M   5
# 6        N   6
# 7        P   7
# 8        Q   8
# 9        R   9
# 10       S  10
# 11       T  11
# 12       W  12
# 
# 
# $num_tokens
# [1] 12

Furthermore, it works on the first attempt if I explicitly configure Python before calling get_seq_encode_pad(). For example this works in a fresh R session:

reticulate::py_config()
library(DeepPINCS)
get_seq_encode_pad("MSPLNQSAEGLPQEASNRSLNATETSEAW", 10)  # 1st attempt works!

So there seems to be some Python initialization issue that affects DeepPINCS on Windows.

Hard to know what the good practices are w.r.t. Python initialization. Is it the responsibility of the end user to call reticulate::py_config() before using a reticulate-based package? Or should each reticulate-based function take care of this for the end-user (e.g. get_seq_encode_pad() calls reticulate::py_config() before doing anything else).

Unfortunately trying to find some guidance by looking at what the reticulate experts do in CRAN packages tensorflow or keras does not help because these packages completely avoid the problem by providing zero running examples in their man pages, zero evaluated code chunks in their vignettes, and by disabling all their unit tests by default. sigh

Is this something where the use of basilisk would help? IIRC you explored its use when you submitted DeepPINCS earlier this year but in the end it seems that you've dismissed it. Did you run into blocking issues?

Best, H.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: cad93983c5fccf795a5f0b7a8a3ba058efef63e1

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "skipped, ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 5331f47868a6507a5a6a64c9eb9565cfd2c2ea1e

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "skipped, ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 149d5a5095636727291ba7cbd740442f703c3ded

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "skipped, ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 027f4e80be56c9ab6c99a582bebdd999e80e1852

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 9c4ec66854462065dd4e587c22b30f4c603cd925

bioc-issue-bot commented 2 years ago

Dear Package contributor,

This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 6f1dba3e006352dce7ae61babdeffcda93614b89

bioc-issue-bot commented 2 years ago

Dear Package contributor,

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Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

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Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

bioc-issue-bot commented 2 years ago

Received a valid push on git.bioconductor.org; starting a build for commit id: 85d8f6250c587cf80457ea04df3098df9e2fea4e

bioc-issue-bot commented 2 years ago

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dongminjung commented 2 years ago

Hi @hpages

Thank you for your concerns about the python connection. Instead of basilisk, I add a condition for the connection to running examples by using reticulate::py_module_available("rpytools"). The basilisk uses a conda environment, however, I don't want to specify any versions of python packages to keep up with changes. Anyway, I found another error in DESCRIPTION. I think, one possible reason is the different version of BiocCheckGitClone.

hpages commented 2 years ago

The problem is that for some reason reticulate::py_module_available("rpytools") always seems to return FALSE on Windows after loading DeepPINCS. This is on riesling1:

Screenshot from 2021-12-02 04-31-26

No such problem if DeepPINCS is not loaded before calling reticulate::py_module_available("rpytools"):

Screenshot from 2021-12-02 04-33-31

Note that we don't see this with your other package ttgsea which also depends on reticulate, tensorflow, and keras:

Screenshot from 2021-12-02 04-55-33

This is why the DeepPINCS::get_seq_encode_pad() example seems to work on Windows, even though the function doesn't work. DeepPINCS is all green on the daily build report only because the example in the man page for get_seq_encode_pad() doesn't actually call the function on Windows.

In other words, testing for reticulate::py_module_available("rpytools") before running the examples doesn't solve the problem, it only masks it.

This is something that needs to be addressed. You will probably need access to a Windows machine to sort this out.

Please remove all the calls to reticulate::py_module_available("rpytools") from packages DeepPINCS, VAExprs, and GenProSeq, so we get build reports for these packages that actually reflect the truth on Windows.

If for some reason Windows cannot be supported, we'll mark these packages as unsupported on this platform.

Thanks, H.

bioc-issue-bot commented 2 years ago

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bioc-issue-bot commented 2 years ago

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This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

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bioc-issue-bot commented 2 years ago

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This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

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Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

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bioc-issue-bot commented 2 years ago

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This is the automated single package builder at bioconductor.org.

Your package has been built on Linux, Mac, and Windows.

On one or more platforms, the build results were: "ERROR". This may mean there is a problem with the package that you need to fix. Or it may mean that there is a problem with the build system itself.

Please see the build report for more details. This link will be active for 21 days.

Remember: if you submitted your package after July 7th, 2020, when making changes to your repository push to git@git.bioconductor.org:packages/GenProSeq to trigger a new build. A quick tutorial for setting up remotes and pushing to upstream can be found here.

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