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Merge pull request #149 from JoseEspinosa/dev
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Update modules to last version
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JoseEspinosa authored Apr 24, 2024
2 parents df3400f + acdadb7 commit 788bbfc
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Showing 31 changed files with 569 additions and 67 deletions.
1 change: 1 addition & 0 deletions CHANGELOG.md
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Expand Up @@ -30,6 +30,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
- [[#115](https://github.com/nf-core/proteinfold/issues/115)] - Throw message error when profile conda is used.
- [[#131](https://github.com/nf-core/proteinfold/issues/131)] - Add esmfold small tests.
- [[#144](https://github.com/nf-core/proteinfold/issues/144)] - Force value channels when providing dbs (downloaded) in `main.nf` to enable the processing of multiple samples.
- [[#147](https://github.com/nf-core/proteinfold/issues/147)] - Update modules to last version.

## 1.0.0 - White Silver Reebok

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3 changes: 2 additions & 1 deletion conf/modules_colabfold.config
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Expand Up @@ -37,7 +37,8 @@ if (params.colabfold_server == 'local') {
]
}
withName: 'MMSEQS_CREATEINDEX' {
ext.args = '--remove-tmp-files 1'
ext.args = '--remove-tmp-files 1'
ext.args2 = '*_seq.tsv'
publishDir = [
enabled: false
]
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26 changes: 13 additions & 13 deletions main.nf
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Expand Up @@ -100,16 +100,16 @@ workflow NFCORE_PROTEINFOLD {
params.full_dbs,
params.alphafold2_mode,
params.alphafold2_model_preset,
PREPARE_ALPHAFOLD2_DBS.out.params.first(),
PREPARE_ALPHAFOLD2_DBS.out.bfd.ifEmpty([]).first(),
PREPARE_ALPHAFOLD2_DBS.out.small_bfd.ifEmpty([]).first(),
PREPARE_ALPHAFOLD2_DBS.out.mgnify.first(),
PREPARE_ALPHAFOLD2_DBS.out.pdb70.first(),
PREPARE_ALPHAFOLD2_DBS.out.pdb_mmcif.first(),
PREPARE_ALPHAFOLD2_DBS.out.uniref30.first(),
PREPARE_ALPHAFOLD2_DBS.out.uniref90.first(),
PREPARE_ALPHAFOLD2_DBS.out.pdb_seqres.first(),
PREPARE_ALPHAFOLD2_DBS.out.uniprot.first()
PREPARE_ALPHAFOLD2_DBS.out.params,
PREPARE_ALPHAFOLD2_DBS.out.bfd.ifEmpty([]),
PREPARE_ALPHAFOLD2_DBS.out.small_bfd.ifEmpty([]),
PREPARE_ALPHAFOLD2_DBS.out.mgnify,
PREPARE_ALPHAFOLD2_DBS.out.pdb70,
PREPARE_ALPHAFOLD2_DBS.out.pdb_mmcif,
PREPARE_ALPHAFOLD2_DBS.out.uniref30,
PREPARE_ALPHAFOLD2_DBS.out.uniref90,
PREPARE_ALPHAFOLD2_DBS.out.pdb_seqres,
PREPARE_ALPHAFOLD2_DBS.out.uniprot
)
ch_multiqc = ALPHAFOLD2.out.multiqc_report
ch_versions = ch_versions.mix(ALPHAFOLD2.out.versions)
Expand Down Expand Up @@ -141,9 +141,9 @@ workflow NFCORE_PROTEINFOLD {
COLABFOLD (
ch_versions,
params.colabfold_model_preset,
PREPARE_COLABFOLD_DBS.out.params.first(),
PREPARE_COLABFOLD_DBS.out.colabfold_db.first(),
PREPARE_COLABFOLD_DBS.out.uniref30.first(),
PREPARE_COLABFOLD_DBS.out.params,
PREPARE_COLABFOLD_DBS.out.colabfold_db,
PREPARE_COLABFOLD_DBS.out.uniref30,
params.num_recycle
)
ch_multiqc = COLABFOLD.out.multiqc_report
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11 changes: 6 additions & 5 deletions modules.json
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Expand Up @@ -7,8 +7,9 @@
"nf-core": {
"aria2": {
"branch": "master",
"git_sha": "911696ea0b62df80e900ef244d7867d177971f73",
"installed_by": ["modules"]
"git_sha": "7d0ccc097c60d23a195099b326a5882e135c7949",
"installed_by": ["modules"],
"patch": "modules/nf-core/aria2/aria2.diff"
},
"gunzip": {
"branch": "master",
Expand All @@ -17,12 +18,12 @@
},
"mmseqs/createindex": {
"branch": "master",
"git_sha": "911696ea0b62df80e900ef244d7867d177971f73",
"git_sha": "151460db852d636979d9ff3ee631e2268060d4c3",
"installed_by": ["modules"]
},
"mmseqs/tsv2exprofiledb": {
"branch": "master",
"git_sha": "911696ea0b62df80e900ef244d7867d177971f73",
"git_sha": "151460db852d636979d9ff3ee631e2268060d4c3",
"installed_by": ["modules"]
},
"multiqc": {
Expand All @@ -32,7 +33,7 @@
},
"untar": {
"branch": "master",
"git_sha": "5c460c5a4736974abde2843294f35307ee2b0e5e",
"git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa",
"installed_by": ["modules"],
"patch": "modules/nf-core/untar/untar.diff"
}
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12 changes: 12 additions & 0 deletions modules/nf-core/aria2/aria2.diff

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7 changes: 7 additions & 0 deletions modules/nf-core/aria2/environment.yml

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23 changes: 16 additions & 7 deletions modules/nf-core/aria2/main.nf

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37 changes: 26 additions & 11 deletions modules/nf-core/aria2/meta.yml

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45 changes: 45 additions & 0 deletions modules/nf-core/aria2/tests/main.nf.test

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60 changes: 60 additions & 0 deletions modules/nf-core/aria2/tests/main.nf.test.snap

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2 changes: 2 additions & 0 deletions modules/nf-core/aria2/tests/tags.yml

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7 changes: 7 additions & 0 deletions modules/nf-core/mmseqs/createindex/environment.yml

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30 changes: 18 additions & 12 deletions modules/nf-core/mmseqs/createindex/main.nf

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