enhance Conda easyblock: add support for using custom conda command (like mamba), and clean up after installation

[rsdmse]

• Set DEFAULT_CONDA_CMD = 'conda' and allow for user-defined alternative (e.g. mamba)
• Run conda clean -ya after env installation to clean up cache files

[ocaisa]

@boegelbot please test @ jsc-zen2 EB_ARGS="TRUST4-1.0.5.1.eb"

[boegelbot]

@ocaisa: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=2996 EB_ARGS="TRUST4-1.0.5.1.eb" EB_REPO=easybuild-easyblocks /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_2996 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

• exit code: 0
• output:

Submitted batch job 3332

Test results coming soon (I hope)...

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[SebastianAchilles]

@boegelbot please test @ jsc-zen2 EB_ARGS="TRUST4-1.0.5.1.eb"

[boegelbot]

@SebastianAchilles: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=2996 EB_ARGS="TRUST4-1.0.5.1.eb" EB_REPO=easybuild-easyblocks /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_2996 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

• exit code: 0
• output:

Submitted batch job 3334

Test results coming soon (I hope)...

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[boegelbot]

Test report by @boegelbot

Overview of tested easyconfigs (in order)

• SUCCESS TRUST4-1.0.5.1.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen2g1.int.jsc-zen2.easybuild-test.cluster - Linux Rocky Linux 8.5, x86_64, AMD EPYC 7742 64-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/boegelbot/9b36c0c7095cf2daff5f132882e56101 for a full test report.

[ocaisa]

@boegelbot please test @ generoso EB_ARGS="TRUST4-1.0.5.1.eb"

[ocaisa]

@boegelbot please test @ jsc-zen2 EB_ARGS="TRUST4-1.0.5.1.eb"

[boegelbot]

@ocaisa: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=2996 EB_ARGS="TRUST4-1.0.5.1.eb" EB_REPO=easybuild-easyblocks /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_2996 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

• exit code: 0
• output:

Submitted batch job 3365

Test results coming soon (I hope)...

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[boegelbot]

Test report by @boegelbot

Overview of tested easyconfigs (in order)

• SUCCESS TRUST4-1.0.5.1.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen2c1.int.jsc-zen2.easybuild-test.cluster - Linux Rocky Linux 8.5, x86_64, AMD EPYC 7742 64-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/boegelbot/b8f1b5e41f37759934c326068a337cbd for a full test report.

[ocaisa]

@boegelbot please test @ generoso EB_ARGS="TRUST4-1.0.5.1.eb"

[boegelbot]

@ocaisa: Request for testing this PR well received on login1

PR test command 'EB_PR=2996 EB_ARGS="TRUST4-1.0.5.1.eb" EB_CONTAINER= EB_REPO=easybuild-easyblocks /opt/software/slurm/bin/sbatch --job-name test_PR_2996 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 11706

Test results coming soon (I hope)...

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[boegelbot]

Test report by @boegelbot

Overview of tested easyconfigs (in order)

• SUCCESS TRUST4-1.0.5.1.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/6d4e0f676e1062926567bcbdecf40696 for a full test report.

[ocaisa]

@rsdmse I think I agree with @branfosj that rather than set conda_cmd on the basis of a config variable we should check the environment. Search for get_software_root in this repo to get some examples of usage. For example:

from easybuild.tools.modules import get_software_root
...
if get_software_root('mamba'):
    conda_cmd = 'mamba'
elif get_software_root('conda'):
    conda_cmd = 'conda'
else
    raise EasyBuildError("Neither mamba nor conda available as a dependency!")

[rsdmse]

@ocaisa Thanks for the suggestion and code snippet. I've taken into account of the variants that I'm aware of: anaconda, miniconda, mamba, micromamba. If the number of variants keep expanding and go out of hand we may have to revert to allowing a user-defined command.

[ocaisa]

@boegelbot please test @ generoso EB_ARGS="TRUST4-1.0.5.1.eb"

[boegelbot]

@ocaisa: Request for testing this PR well received on login1

PR test command 'EB_PR=2996 EB_ARGS="TRUST4-1.0.5.1.eb" EB_CONTAINER= EB_REPO=easybuild-easyblocks /opt/software/slurm/bin/sbatch --job-name test_PR_2996 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 11718

Test results coming soon (I hope)...

- notification for comment with ID 1721565503 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

[boegelbot]

Test report by @boegelbot

Overview of tested easyconfigs (in order)

• SUCCESS TRUST4-1.0.5.1.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns2 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/4ab72b317ca2785b373e8f050e82089e for a full test report.

[ocaisa]

Going in, thanks for the patience @rsdmse !

[rsdmse]

@ocaisa Thanks for all the suggestions!