franciscozorrilla / metaGEM

:gem: An easy-to-use workflow for generating context specific genome-scale metabolic models and predicting metabolic interactions within microbial communities directly from metagenomic data
https://franciscozorrilla.github.io/metaGEM/
MIT License
203 stars 42 forks source link

[Question]: Install on mac M2? #134

Closed transition-bio-1 closed 11 months ago

transition-bio-1 commented 1 year ago

Hi Francisco,

I'm relatively inexperienced in bioinformatics and maybe there is an easy workaround that I'm missing, but I am struggling to figure out if this workflow can be run on a mac M2 machine. At the very least concoct v1.1.0 is not available for osx-64 (only 0.4.2) and I'm not sure about other dependencies. Do you have any suggestions for how to set up metaGEM on a mac? The workflow itself looks excellent and I would love to try it out.

Best, ~s.

franciscozorrilla commented 1 year ago

Hi Sasha,

Great that you are getting hands on experience with bioinfo tools, happy to help!

The short answer is: no ❌

The long answer is: metaGEM was developed for usage on linux-based high performance computer clusters, considering that personal computers (mac or windows) do not have the computational resources to efficiently store and analyze real metagenomics datasets. Even if you could set up metaGEM on your macbook, you would have a very hard time with many steps in the workflow, e.g. short read assembly which typically requires multiple cores and significant RAM. So while it should be possible to install dependencies and set up metaGEM on a macbook, this would be of very limited use. Instead, I would suggest you get access to your institution's high performance computer cluster, where you should be able to set up metaGEM ✅

See also issues #16 and #122 for more info on this topic. You may also be interested in this google colab notebook that sets up metaGEM and runs assembly on a toy set of samples.

Best wishes and good luck! Francisco

transition-bio-1 commented 1 year ago

Thanks for a quick response!

I figured that was probably going to be the answer. The M2 machines are actually getting up there in cores and RAM availability for smaller jobs. I have a somewhat unique use case with small enough datasets that I was hoping to crunch at a leisurely pace :)

Still. A great workflow and pretty instructive. Thank you!


Sasha Milshteyn, PhD Founder, Transition Bio[mining] Tel: +1.415.680.3435

On Thu, Jul 20, 2023 at 4:05 AM Francisco Zorrilla @.***> wrote:

Hi Sasha,

Great that you are getting hands on experience with bioinfo tools, happy to help!

The short answer is: no ❌

The long answer is: metaGEM was developed for usage on linux-based high performance computer clusters, considering that personal computers (mac or windows) do not have the computational resources to efficiently store and analyze real metagenomics datasets. Even if you could set up metaGEM on your macbook, you would have a very hard time with many steps in the workflow, e.g. short read assembly which typically requires multiple cores and significant RAM. So while it should be possible to install dependencies and set up metaGEM on a macbook, this would be of very limited use. Instead, I would suggest you get access to your institution's high performance computer cluster, where you should be able to set up metaGEM ✅

See also issues #16 https://github.com/franciscozorrilla/metaGEM/issues/16 and #122 https://github.com/franciscozorrilla/metaGEM/issues/122 for more info on this topic. You may also be interested in this google colab notebook https://colab.research.google.com/drive/1I1S8AoGuJ9Oc2292vqAGTDmZcbnolbuj#scrollTo=awiAaVwSF5Fz that sets up metaGEM and runs assembly on a toy set of samples.

Best wishes and good luck! Francisco

— Reply to this email directly, view it on GitHub https://github.com/franciscozorrilla/metaGEM/issues/134#issuecomment-1643722154, or unsubscribe https://github.com/notifications/unsubscribe-auth/BBGWNMOGX6VQOUIX42AF7JLXREGGFANCNFSM6AAAAAA2QP6GTE . You are receiving this because you authored the thread.Message ID: @.***>

franciscozorrilla commented 1 year ago

Its true, I also think that for certain tasks/datasets there could be situations where it would be nice to run some analysis with metaGEM on a macbook (#123). Its not at the top of my priority list but will try to get to this soon 💎

franciscozorrilla commented 1 year ago

Was curious about this so looked into it earlier than expected.

There is good news and bad news: as a temporary workaround you can follow the instructions from the manual setup to install dependencies from yml files.

Unfortunately, gtdbtk is not available on osx due to the fact that a key dependency pplacer is only available for linux architectures. In any case, gtdbtk is far too computationally intensive to run on a macbook, even with M1/M2. Also, as you already identified CONCOCT v1.1.0 is not avaiable for osx so you would have to settle for the earlier v0.4.2 for now.

First create a modified version of the metaGEM_env.yml file, with relaxed versioning for CONCOCT and gtdbtk removed:

name: metagem
channels:
  - conda-forge
  - bioconda
  - defaults
dependencies:
  - bedtools>=2.29.2
  - bwa>=0.7.17
  - concoct
  - diamond>=2.0.6
  - fastp>=0.20.1
  - maxbin2>=2.2.7
  - megahit>=1.2.9
  - metabat2>=2.15
  - r-base>=3.5.1
  - r-gridextra>=2.2.1
  - r-tidyverse
  - r-tidytext
  - samtools>=1.9
  - snakemake>=5.10.0,<5.31.1

Then use mamba to set up the dependencies:

$ mamba env create --prefix ./envs/metagem -f metaGEM_env.yml
``` pkgs/main/osx-64 [====================] (00m:00s) No change bioconda/osx-64 [====================] (00m:00s) No change pkgs/r/noarch [====================] (00m:00s) No change bioconda/noarch [====================] (00m:00s) No change pkgs/r/osx-64 [====================] (00m:00s) No change pkgs/main/noarch [====================] (00m:00s) No change conda-forge/noarch [====================] (00m:03s) Done conda-forge/osx-64 [====================] (00m:08s) Done Looking for: ["bedtools[version='>=2.29.2']", "bwa[version='>=0.7.17']", 'concoct', "diamond[version='>=2.0.6']", "fastp[version='>=0.20.1']", "maxbin2[version='>=2.2.7']", "megahit[version='>=1.2.9']", "metabat2[version='>=2.15']", "r-base[version='>=3.5.1']", "r-gridextra[version='>=2.2.1']", 'r-tidyverse', 'r-tidytext', "samtools[version='>=1.9']", "snakemake[version='>=5.10.0,<5.31.1']"] Transaction Prefix: /Users/fzorrilla/Documents/metagem/envs/metagem Updating specs: - bedtools[version='>=2.29.2'] - bwa[version='>=0.7.17'] - concoct - diamond[version='>=2.0.6'] - fastp[version='>=0.20.1'] - maxbin2[version='>=2.2.7'] - megahit[version='>=1.2.9'] - metabat2[version='>=2.15'] - r-base[version='>=3.5.1'] - r-gridextra[version='>=2.2.1'] - r-tidyverse - r-tidytext - samtools[version='>=1.9'] - snakemake[version='>=5.10.0,<5.31.1'] Package Version Build Channel Size ────────────────────────────────────────────────────────────────────────────────────────────────────────── Install: ────────────────────────────────────────────────────────────────────────────────────────────────────────── + _r-mutex 1.0.1 anacondar_1 conda-forge/noarch Cached + aioeasywebdav 2.4.0 py36h79c6626_1001 conda-forge/osx-64 Cached + aiohttp 3.7.4.post0 py36hfa26744_0 conda-forge/osx-64 Cached + alabaster 0.7.13 pyhd8ed1ab_0 conda-forge/noarch 18 KB + amply 0.1.6 pyhd8ed1ab_0 conda-forge/noarch 21 KB + appdirs 1.4.4 pyh9f0ad1d_0 conda-forge/noarch Cached + async-timeout 3.0.1 py_1000 conda-forge/noarch Cached + 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828 KB + wheel 0.37.1 pyhd8ed1ab_0 conda-forge/noarch 31 KB + wrapt 1.13.1 py36hfa26744_0 conda-forge/osx-64 Cached + xorg-kbproto 1.0.7 h35c211d_1002 conda-forge/osx-64 Cached + xorg-libice 1.0.10 h0d85af4_0 conda-forge/osx-64 Cached + xorg-libsm 1.2.3 h0d85af4_1000 conda-forge/osx-64 Cached + xorg-libx11 1.8.6 hbd0b022_0 conda-forge/osx-64 762 KB + xorg-libxau 1.0.11 h0dc2134_0 conda-forge/osx-64 13 KB + xorg-libxdmcp 1.1.3 h35c211d_0 conda-forge/osx-64 Cached + xorg-libxext 1.3.4 hb7f2c08_2 conda-forge/osx-64 42 KB + xorg-libxrender 0.9.11 h0dc2134_0 conda-forge/osx-64 28 KB + xorg-libxt 1.3.0 h0dc2134_0 conda-forge/osx-64 194 KB + xorg-renderproto 0.11.1 h0d85af4_1002 conda-forge/osx-64 Cached + xorg-xextproto 7.3.0 hb7f2c08_1003 conda-forge/osx-64 30 KB + xorg-xproto 7.0.31 h35c211d_1007 conda-forge/osx-64 Cached + xz 5.2.6 h775f41a_0 conda-forge/osx-64 233 KB + yaml 0.2.5 h0d85af4_2 conda-forge/osx-64 82 KB + yarl 1.6.3 py36hfa26744_2 conda-forge/osx-64 Cached + zipp 3.6.0 pyhd8ed1ab_0 conda-forge/noarch Cached + zlib 1.2.13 h8a1eda9_5 conda-forge/osx-64 89 KB + zstd 1.5.2 h829000d_7 conda-forge/osx-64 396 KB Summary: Install: 419 packages Total download: 484 MB ────────────────────────────────────────────────────────────────────────────────────────────────────────── Finished xorg-libxau (00m:00s) 13 KB 110 KB/s Finished libzlib (00m:00s) 58 KB 331 KB/s Finished xz (00m:00s) 233 KB 1 MB/s Finished jpeg (00m:00s) 226 KB 1 MB/s Finished libdeflate (00m:00s) 65 KB 233 KB/s Finished pixman (00m:00s) 611 KB 2 MB/s Finished libedit (00m:00s) 103 KB 280 KB/s Finished ncurses (00m:00s) 881 KB 2 MB/s Finished tbb (00m:00s) 155 KB 379 KB/s Finished libunistring (00m:00s) 1 MB 3 MB/s Finished libxcb (00m:00s) 306 KB 612 KB/s Finished tar (00m:00s) 434 KB 709 KB/s Finished sigtool (00m:00s) 209 KB 324 KB/s Finished xorg-libxext (00m:00s) 42 KB 52 KB/s Finished ld64_osx-64 (00m:00s) 1 MB 989 KB/s Finished clangxx (00m:00s) 130 KB 120 KB/s Finished backports (00m:00s) 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Finished idna (00m:00s) 55 KB 11 KB/s Finished decorator (00m:00s) 12 KB 2 KB/s Finished colorama (00m:00s) 18 KB 4 KB/s Finished gitdb (00m:00s) 50 KB 10 KB/s Finished xorg-libxrender (00m:00s) 28 KB 6 KB/s Finished perl-exporter-tiny (00m:00s) 23 KB 4 KB/s Finished stone (00m:00s) 146 KB 28 KB/s Finished perl-list-moreutils-xs (00m:00s) 40 KB 8 KB/s Finished perl-json-xs (00m:00s) 61 KB 11 KB/s Finished compiler-rt (00m:00s) 83 KB 15 KB/s Finished libcroco (00m:00s) 115 KB 20 KB/s Finished libllvm14 (00m:02s) 21 MB 4 MB/s Finished gobject-introspection (00m:00s) 1 MB 231 KB/s Finished imagemagick (00m:00s) 2 MB 332 KB/s Finished paramiko (00m:00s) 141 KB 21 KB/s Finished requests (00m:00s) 53 KB 8 KB/s Finished google-api-core (00m:00s) 70 KB 10 KB/s Finished entrez-direct (00m:01s) 7 MB 1 MB/s Finished boto3 (00m:00s) 71 KB 10 KB/s Finished sphinx_rtd_theme (00m:00s) 2 MB 359 KB/s Finished xorg-xextproto (00m:00s) 30 KB 4 KB/s Finished libcxx (00m:00s) 1 MB 155 KB/s Finished zlib 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Finished libssh2 (00m:00s) 222 KB 24 KB/s Finished google-api-python-client (00m:00s) 5 MB 545 KB/s Finished alabaster (00m:00s) 18 KB 2 KB/s Finished clang (00m:00s) 130 KB 14 KB/s Finished typing-extensions (00m:00s) 8 KB 858 B/s Finished typing_extensions (00m:00s) 29 KB 3 KB/s Finished perl-pathtools (00m:00s) 39 KB 4 KB/s Finished libcblas (00m:00s) 12 KB 1 KB/s Finished tk (00m:00s) 3 MB 363 KB/s Finished amply (00m:00s) 21 KB 2 KB/s Finished megahit (00m:00s) 2 MB 168 KB/s Finished s3transfer (00m:00s) 55 KB 6 KB/s Finished fraggenescan (00m:00s) 1 MB 141 KB/s Finished dropbox (00m:00s) 956 KB 98 KB/s Finished yaml (00m:00s) 82 KB 8 KB/s Finished joblib (00m:00s) 216 KB 22 KB/s Finished ftputil (00m:00s) 42 KB 4 KB/s Finished perl-common-sense (00m:00s) 15 KB 2 KB/s Finished libblas (00m:00s) 12 KB 1 KB/s Finished perl-io-compress (00m:00s) 81 KB 8 KB/s Finished pyopenssl (00m:00s) 120 KB 12 KB/s Finished ca-certificates (00m:00s) 145 KB 14 KB/s Finished networkx (00m:00s) 2 MB 148 KB/s Finished charset-normalizer (00m:00s) 36 KB 3 KB/s Finished httplib2 (00m:00s) 93 KB 9 KB/s Finished perl-json (00m:00s) 52 KB 5 KB/s Finished fftw (00m:01s) 5 MB 482 KB/s Finished snakemake (00m:00s) 7 KB 584 B/s Finished librsvg (00m:00s) 2 MB 206 KB/s Finished sphinxcontrib-applehelp (00m:00s) 29 KB 2 KB/s Finished bwa (00m:00s) 222 KB 18 KB/s Finished urllib3 (00m:00s) 110 KB 9 KB/s Finished zstd (00m:00s) 396 KB 32 KB/s Finished ratelimiter (00m:00s) 13 KB 1 KB/s Finished liblapack (00m:00s) 12 KB 982 B/s Finished mpich (00m:01s) 4 MB 320 KB/s Finished xorg-libxt (00m:00s) 194 KB 15 KB/s Finished llvm-tools (00m:02s) 11 MB 822 KB/s Finished libtiff (00m:00s) 425 KB 32 KB/s Finished fastp (00m:00s) 237 KB 17 KB/s Finished llvm-openmp (00m:00s) 289 KB 21 KB/s Finished sphinxcontrib-jquery (00m:00s) 110 KB 8 KB/s Finished compiler-rt_osx-64 (00m:03s) 15 MB 946 KB/s Finished ghostscript (00m:07s) 56 MB 3 MB/s Finished blast (00m:19s) 232 MB 10 MB/s Downloading [====================================================================================================] (00m:43s) 19.91 MB/s Extracting [====================================================================================================] (00m:43s) 151 / 151 Preparing transaction: done Verifying transaction: done Executing transaction: done # # To activate this environment, use # # $ conda activate /Users/fzorrilla/Documents/metagem/envs/metagem # # To deactivate an active environment, use # # $ conda deactivate ```

As for the metawrap env, you can refer to their own installation details , and there is also some documentation in the above-linked metaGEM manual setup wiki. This should work:

mamba create -y -n metawrap-env python=2.7
conda activate metawrap-env

conda config --add channels defaults
conda config --add channels conda-forge
conda config --add channels bioconda
conda config --add channels ursky

mamba install biopython blas=2.5 blast=2.6.0 bmtagger bowtie2 bwa checkm-genome fastqc kraken=1.1 kraken=2.0 krona=2.7 matplotlib maxbin2 megahit metabat2 pandas prokka quast r-ggplot2 r-recommended salmon samtools=1.9 seaborn spades trim-galore

Hope this helps!

transition-bio-1 commented 1 year ago

Amazing! Will give this a shot over the weekend. Thank you so much for being so responsive.