diff --git a/modules/nf-core/openms/decoydatabase/environment.yml b/modules/nf-core/openms/decoydatabase/environment.yml index 31614292dbe..a65d15f44f5 100644 --- a/modules/nf-core/openms/decoydatabase/environment.yml +++ b/modules/nf-core/openms/decoydatabase/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - bioconda::openms=3.2.0 + - bioconda::openms=3.3.0 diff --git a/modules/nf-core/openms/decoydatabase/main.nf b/modules/nf-core/openms/decoydatabase/main.nf index 5c3a55ce341..4519f40eb55 100644 --- a/modules/nf-core/openms/decoydatabase/main.nf +++ b/modules/nf-core/openms/decoydatabase/main.nf @@ -4,8 +4,8 @@ process OPENMS_DECOYDATABASE { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms:3.2.0--haddbca4_4' : - 'biocontainers/openms:3.2.0--haddbca4_4' }" + 'https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8' : + 'biocontainers/openms:3.3.0--h0656172_8' }" input: tuple val(meta), path(fasta) diff --git a/modules/nf-core/openms/decoydatabase/tests/main.nf.test b/modules/nf-core/openms/decoydatabase/tests/main.nf.test index d0d5db211ea..5ca03a79c1d 100644 --- a/modules/nf-core/openms/decoydatabase/tests/main.nf.test +++ b/modules/nf-core/openms/decoydatabase/tests/main.nf.test @@ -18,7 +18,6 @@ nextflow_process { [id:'test'], file(params.modules_testdata_base_path + 'proteomics/database/yeast_UPS.fasta', checkIfExists: true) ] - """ } } @@ -29,7 +28,5 @@ nextflow_process { { assert snapshot(process.out).match() } ) } - } - } diff --git a/modules/nf-core/openms/decoydatabase/tests/main.nf.test.snap b/modules/nf-core/openms/decoydatabase/tests/main.nf.test.snap index 699b8c2d8ef..ff0bdf5250e 100644 --- a/modules/nf-core/openms/decoydatabase/tests/main.nf.test.snap +++ b/modules/nf-core/openms/decoydatabase/tests/main.nf.test.snap @@ -11,7 +11,7 @@ ] ], "1": [ - "versions.yml:md5,6c32e4ec0949f616baefa1b17efbe426" + "versions.yml:md5,da0a498551f58bedc67c2ff26cc99f54" ], "decoy_fasta": [ [ @@ -22,14 +22,14 @@ ] ], "versions": [ - "versions.yml:md5,6c32e4ec0949f616baefa1b17efbe426" + "versions.yml:md5,da0a498551f58bedc67c2ff26cc99f54" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T11:22:32.701406062" + "timestamp": "2025-01-27T09:32:00.741200995" } } \ No newline at end of file diff --git a/modules/nf-core/openms/filefilter/environment.yml b/modules/nf-core/openms/filefilter/environment.yml index 5ec74436391..6c42dcb14bc 100644 --- a/modules/nf-core/openms/filefilter/environment.yml +++ b/modules/nf-core/openms/filefilter/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - "bioconda::openms=3.2.0" + - "bioconda::openms=3.3.0" diff --git a/modules/nf-core/openms/filefilter/main.nf b/modules/nf-core/openms/filefilter/main.nf index 51aeff7b793..6951f8551cc 100644 --- a/modules/nf-core/openms/filefilter/main.nf +++ b/modules/nf-core/openms/filefilter/main.nf @@ -4,8 +4,8 @@ process OPENMS_FILEFILTER { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms:3.2.0--haddbca4_4' : - 'biocontainers/openms:3.2.0--haddbca4_4' }" + 'https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8' : + 'biocontainers/openms:3.3.0--h0656172_8' }" input: tuple val(meta), path(file) diff --git a/modules/nf-core/openms/filefilter/tests/main.nf.test.snap b/modules/nf-core/openms/filefilter/tests/main.nf.test.snap index 61762bc2cc6..dff9e0fdafd 100644 --- a/modules/nf-core/openms/filefilter/tests/main.nf.test.snap +++ b/modules/nf-core/openms/filefilter/tests/main.nf.test.snap @@ -43,7 +43,7 @@ ], "3": [ - "versions.yml:md5,a8ec8f78f4a0da0328482bf90dc2df00" + "versions.yml:md5,2dbaab2d39324e978b6b63643b2adee6" ], "consensusxml": [ @@ -60,14 +60,14 @@ ] ], "versions": [ - "versions.yml:md5,a8ec8f78f4a0da0328482bf90dc2df00" + "versions.yml:md5,2dbaab2d39324e978b6b63643b2adee6" ] } ], "meta": { "nf-test": "0.9.2", - "nextflow": "24.10.3" + "nextflow": "24.10.4" }, - "timestamp": "2025-01-21T13:09:28.723787747" + "timestamp": "2025-01-27T09:52:55.262478412" } } \ No newline at end of file diff --git a/modules/nf-core/openms/idfilter/environment.yml b/modules/nf-core/openms/idfilter/environment.yml index 5ec74436391..6c42dcb14bc 100644 --- a/modules/nf-core/openms/idfilter/environment.yml +++ b/modules/nf-core/openms/idfilter/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - "bioconda::openms=3.2.0" + - "bioconda::openms=3.3.0" diff --git a/modules/nf-core/openms/idfilter/main.nf b/modules/nf-core/openms/idfilter/main.nf index 763c2bf955d..be27554d3b4 100644 --- a/modules/nf-core/openms/idfilter/main.nf +++ b/modules/nf-core/openms/idfilter/main.nf @@ -2,10 +2,10 @@ process OPENMS_IDFILTER { tag "$meta.id" label 'process_single' - conda "bioconda::openms=3.2.0" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms:3.2.0--haddbca4_4' : - 'biocontainers/openms:3.2.0--haddbca4_4' }" + 'https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8' : + 'biocontainers/openms:3.3.0--h0656172_8' }" input: tuple val(meta), path(id_file), path(filter_file) @@ -21,6 +21,7 @@ process OPENMS_IDFILTER { def args = task.ext.args ?: '' def prefix = task.ext.prefix ?: "${meta.id}" def suffix = task.ext.suffix ?: "${id_file.getExtension()}" + if ("$file" == "${prefix}.${suffix}") error "Input and output names are the same, set prefix in module configuration to disambiguate!" // Optional filtering via filter_file def filter_citerion = task.ext.args2 ?: "-whitelist:peptides" def filter = filter_file ? "${filter_citerion} ${filter_file}" : "" @@ -42,6 +43,7 @@ process OPENMS_IDFILTER { def args = task.ext.args ?: '' def prefix = task.ext.prefix ?: "${meta.id}" def suffix = task.ext.suffix ?: "${id_file.getExtension()}" + if ("$file" == "${prefix}.${suffix}") error "Input and output names are the same, set prefix in module configuration to disambiguate!" // Optional filtering via filter_file def filter_citerion = task.ext.args2 ?: "-whitelist:peptides" def filter = filter_file ? "${filter_citerion} ${filter_file}" : "" diff --git a/modules/nf-core/openms/idfilter/tests/main.nf.test.snap b/modules/nf-core/openms/idfilter/tests/main.nf.test.snap index 0b74a186c17..9ff72d3cfd8 100644 --- a/modules/nf-core/openms/idfilter/tests/main.nf.test.snap +++ b/modules/nf-core/openms/idfilter/tests/main.nf.test.snap @@ -11,7 +11,7 @@ ] ], "1": [ - "versions.yml:md5,8a95c69294e90ae931b766218dc87dec" + "versions.yml:md5,d1e4fc495db4455433af0f1c9944fa4a" ], "filtered": [ [ @@ -22,15 +22,15 @@ ] ], "versions": [ - "versions.yml:md5,8a95c69294e90ae931b766218dc87dec" + "versions.yml:md5,d1e4fc495db4455433af0f1c9944fa4a" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T11:45:00.758602574" + "timestamp": "2025-01-27T14:24:13.027097196" }, "proteomics - filter - idxml": { "content": [ @@ -44,7 +44,7 @@ ] ], "1": [ - "versions.yml:md5,8a95c69294e90ae931b766218dc87dec" + "versions.yml:md5,d1e4fc495db4455433af0f1c9944fa4a" ], "filtered": [ [ @@ -55,14 +55,14 @@ ] ], "versions": [ - "versions.yml:md5,8a95c69294e90ae931b766218dc87dec" + "versions.yml:md5,d1e4fc495db4455433af0f1c9944fa4a" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T11:44:53.291545021" + "timestamp": "2025-01-27T14:24:01.067382973" } } \ No newline at end of file diff --git a/modules/nf-core/openms/idmassaccuracy/environment.yml b/modules/nf-core/openms/idmassaccuracy/environment.yml index 5ec74436391..6c42dcb14bc 100644 --- a/modules/nf-core/openms/idmassaccuracy/environment.yml +++ b/modules/nf-core/openms/idmassaccuracy/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - "bioconda::openms=3.2.0" + - "bioconda::openms=3.3.0" diff --git a/modules/nf-core/openms/idmassaccuracy/main.nf b/modules/nf-core/openms/idmassaccuracy/main.nf index b1e8deac16b..794faa95478 100644 --- a/modules/nf-core/openms/idmassaccuracy/main.nf +++ b/modules/nf-core/openms/idmassaccuracy/main.nf @@ -4,8 +4,8 @@ process OPENMS_IDMASSACCURACY { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms:3.2.0--haddbca4_4' : - 'biocontainers/openms:3.2.0--haddbca4_4' }" + 'https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8' : + 'biocontainers/openms:3.3.0--h0656172_8' }" input: tuple val(meta), path(mzmls), path(idxmls) diff --git a/modules/nf-core/openms/idmassaccuracy/tests/main.nf.test.snap b/modules/nf-core/openms/idmassaccuracy/tests/main.nf.test.snap index c9f056e174f..11d1b867bb9 100644 --- a/modules/nf-core/openms/idmassaccuracy/tests/main.nf.test.snap +++ b/modules/nf-core/openms/idmassaccuracy/tests/main.nf.test.snap @@ -19,7 +19,7 @@ ] ], "2": [ - "versions.yml:md5,9bf83a6db02732d209de6819818aed26" + "versions.yml:md5,3ef5990b5bbae77d5faba3fead83814c" ], "frag_err": [ [ @@ -38,15 +38,15 @@ ] ], "versions": [ - "versions.yml:md5,9bf83a6db02732d209de6819818aed26" + "versions.yml:md5,3ef5990b5bbae77d5faba3fead83814c" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T11:26:08.231171982" + "timestamp": "2025-01-27T09:38:35.753866654" }, "proteomics - openms - mass_error": { "content": [ @@ -63,7 +63,7 @@ ], "2": [ - "versions.yml:md5,9bf83a6db02732d209de6819818aed26" + "versions.yml:md5,3ef5990b5bbae77d5faba3fead83814c" ], "frag_err": [ [ @@ -77,14 +77,14 @@ ], "versions": [ - "versions.yml:md5,9bf83a6db02732d209de6819818aed26" + "versions.yml:md5,3ef5990b5bbae77d5faba3fead83814c" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T11:25:57.38948188" + "timestamp": "2025-01-27T09:38:24.74497273" } } \ No newline at end of file diff --git a/modules/nf-core/openms/idmerger/environment.yml b/modules/nf-core/openms/idmerger/environment.yml index 31614292dbe..a65d15f44f5 100644 --- a/modules/nf-core/openms/idmerger/environment.yml +++ b/modules/nf-core/openms/idmerger/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - bioconda::openms=3.2.0 + - bioconda::openms=3.3.0 diff --git a/modules/nf-core/openms/idmerger/main.nf b/modules/nf-core/openms/idmerger/main.nf index 62a7a506237..e357434b72e 100644 --- a/modules/nf-core/openms/idmerger/main.nf +++ b/modules/nf-core/openms/idmerger/main.nf @@ -4,8 +4,8 @@ process OPENMS_IDMERGER { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms:3.2.0--haddbca4_4' : - 'biocontainers/openms:3.2.0--haddbca4_4' }" + 'https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8' : + 'biocontainers/openms:3.3.0--h0656172_8' }" input: tuple val(meta), path(idxmls) diff --git a/modules/nf-core/openms/idmerger/tests/main.nf.test.snap b/modules/nf-core/openms/idmerger/tests/main.nf.test.snap index fa034582afb..3274728e57c 100644 --- a/modules/nf-core/openms/idmerger/tests/main.nf.test.snap +++ b/modules/nf-core/openms/idmerger/tests/main.nf.test.snap @@ -2,14 +2,14 @@ "proteomics - openms - idxml": { "content": [ [ - "versions.yml:md5,8051ce1c0fe4404798507d607ebf52a3" + "versions.yml:md5,223c9352a3e79162fde8cbbf18e93e54" ] ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T12:02:35.595648853" + "timestamp": "2025-01-27T09:56:47.184737888" }, "proteomics - openms - idxml - stub": { "content": [ @@ -23,7 +23,7 @@ ] ], "1": [ - "versions.yml:md5,8051ce1c0fe4404798507d607ebf52a3" + "versions.yml:md5,223c9352a3e79162fde8cbbf18e93e54" ], "idxml": [ [ @@ -34,14 +34,14 @@ ] ], "versions": [ - "versions.yml:md5,8051ce1c0fe4404798507d607ebf52a3" + "versions.yml:md5,223c9352a3e79162fde8cbbf18e93e54" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T12:02:42.76246364" + "timestamp": "2025-01-27T09:56:54.134223267" } } \ No newline at end of file diff --git a/modules/nf-core/openms/idripper/environment.yml b/modules/nf-core/openms/idripper/environment.yml index 5ec74436391..6c42dcb14bc 100644 --- a/modules/nf-core/openms/idripper/environment.yml +++ b/modules/nf-core/openms/idripper/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - "bioconda::openms=3.2.0" + - "bioconda::openms=3.3.0" diff --git a/modules/nf-core/openms/idripper/main.nf b/modules/nf-core/openms/idripper/main.nf index 463afa25773..f38d9041b4f 100644 --- a/modules/nf-core/openms/idripper/main.nf +++ b/modules/nf-core/openms/idripper/main.nf @@ -4,8 +4,8 @@ process OPENMS_IDRIPPER { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms:3.2.0--haddbca4_4': - 'biocontainers/openms:3.2.0--haddbca4_4' }" + 'https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8': + 'biocontainers/openms:3.3.0--h0656172_8' }" input: tuple val(meta), path(merged_idxml) diff --git a/modules/nf-core/openms/idripper/tests/main.nf.test.snap b/modules/nf-core/openms/idripper/tests/main.nf.test.snap index 2851a262ca8..3e1b2d76ca3 100644 --- a/modules/nf-core/openms/idripper/tests/main.nf.test.snap +++ b/modules/nf-core/openms/idripper/tests/main.nf.test.snap @@ -14,7 +14,7 @@ ] ], "1": [ - "versions.yml:md5,e016c1da0449e1d29d4c34198ff1a948" + "versions.yml:md5,6bb62c7c19af0216ac52a3a446d8f902" ], "idxmls": [ [ @@ -28,15 +28,15 @@ ] ], "versions": [ - "versions.yml:md5,e016c1da0449e1d29d4c34198ff1a948" + "versions.yml:md5,6bb62c7c19af0216ac52a3a446d8f902" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T12:02:51.318615048" + "timestamp": "2025-01-27T09:57:07.224001216" }, "proteomics - split - idxml - stub": { "content": [ @@ -53,7 +53,7 @@ ] ], "1": [ - "versions.yml:md5,e016c1da0449e1d29d4c34198ff1a948" + "versions.yml:md5,6bb62c7c19af0216ac52a3a446d8f902" ], "idxmls": [ [ @@ -67,14 +67,14 @@ ] ], "versions": [ - "versions.yml:md5,e016c1da0449e1d29d4c34198ff1a948" + "versions.yml:md5,6bb62c7c19af0216ac52a3a446d8f902" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T12:02:59.481185212" + "timestamp": "2025-01-27T09:57:16.528990416" } } \ No newline at end of file diff --git a/modules/nf-core/openms/idscoreswitcher/environment.yml b/modules/nf-core/openms/idscoreswitcher/environment.yml index 5ec74436391..6c42dcb14bc 100644 --- a/modules/nf-core/openms/idscoreswitcher/environment.yml +++ b/modules/nf-core/openms/idscoreswitcher/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - "bioconda::openms=3.2.0" + - "bioconda::openms=3.3.0" diff --git a/modules/nf-core/openms/idscoreswitcher/main.nf b/modules/nf-core/openms/idscoreswitcher/main.nf index 41ecb2df7fb..0f4e4e5246f 100644 --- a/modules/nf-core/openms/idscoreswitcher/main.nf +++ b/modules/nf-core/openms/idscoreswitcher/main.nf @@ -4,8 +4,8 @@ process OPENMS_IDSCORESWITCHER { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms:3.2.0--haddbca4_4': - 'biocontainers/openms:3.2.0--haddbca4_4' }" + 'https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8': + 'biocontainers/openms:3.3.0--h0656172_8' }" input: tuple val(meta), path(idxml) diff --git a/modules/nf-core/openms/idscoreswitcher/tests/main.nf.test.snap b/modules/nf-core/openms/idscoreswitcher/tests/main.nf.test.snap index 287209db145..d235a3c58c4 100644 --- a/modules/nf-core/openms/idscoreswitcher/tests/main.nf.test.snap +++ b/modules/nf-core/openms/idscoreswitcher/tests/main.nf.test.snap @@ -11,7 +11,7 @@ ] ], "1": [ - "versions.yml:md5,6ba0a7c237c0553ecaa343d7d0638e32" + "versions.yml:md5,cbfb6033f465c5cec51648340d64d4be" ], "idxml": [ [ @@ -22,15 +22,15 @@ ] ], "versions": [ - "versions.yml:md5,6ba0a7c237c0553ecaa343d7d0638e32" + "versions.yml:md5,cbfb6033f465c5cec51648340d64d4be" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T12:08:26.611231415" + "timestamp": "2025-01-27T09:57:29.949315209" }, "proteomics - switch_score - idxml": { "content": [ @@ -44,7 +44,7 @@ ] ], "1": [ - "versions.yml:md5,6ba0a7c237c0553ecaa343d7d0638e32" + "versions.yml:md5,cbfb6033f465c5cec51648340d64d4be" ], "idxml": [ [ @@ -55,14 +55,14 @@ ] ], "versions": [ - "versions.yml:md5,6ba0a7c237c0553ecaa343d7d0638e32" + "versions.yml:md5,cbfb6033f465c5cec51648340d64d4be" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T12:08:17.9635299" + "timestamp": "2025-01-27T09:57:23.221927789" } } \ No newline at end of file diff --git a/modules/nf-core/openms/peakpickerhires/environment.yml b/modules/nf-core/openms/peakpickerhires/environment.yml index d4d40e896b1..6c42dcb14bc 100644 --- a/modules/nf-core/openms/peakpickerhires/environment.yml +++ b/modules/nf-core/openms/peakpickerhires/environment.yml @@ -1,7 +1,5 @@ ---- -# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/environment-schema.json channels: - conda-forge - bioconda dependencies: - - "bioconda::openms=3.2.0" + - "bioconda::openms=3.3.0" diff --git a/modules/nf-core/openms/peakpickerhires/main.nf b/modules/nf-core/openms/peakpickerhires/main.nf index 153cab4f91a..447fcc08298 100644 --- a/modules/nf-core/openms/peakpickerhires/main.nf +++ b/modules/nf-core/openms/peakpickerhires/main.nf @@ -4,8 +4,8 @@ process OPENMS_PEAKPICKERHIRES { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms:3.2.0--haddbca4_4' : - 'biocontainers/openms:3.2.0--haddbca4_4' }" + 'https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8' : + 'biocontainers/openms:3.3.0--h0656172_8' }" input: tuple val(meta), path(mzml) diff --git a/modules/nf-core/openms/peakpickerhires/tests/main.nf.test.snap b/modules/nf-core/openms/peakpickerhires/tests/main.nf.test.snap index c99a542ed53..ee83a13b342 100644 --- a/modules/nf-core/openms/peakpickerhires/tests/main.nf.test.snap +++ b/modules/nf-core/openms/peakpickerhires/tests/main.nf.test.snap @@ -2,14 +2,14 @@ "proteomics - mzML": { "content": [ [ - "versions.yml:md5,3db8a4b45ffebff2eac6118cbca4bb4e" + "versions.yml:md5,2a295ece38dbed69c3a865da59cbd36e" ] ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T12:13:25.732124582" + "timestamp": "2025-01-27T09:57:37.304798738" }, "proteomics - mzML - stub": { "content": [ @@ -23,7 +23,7 @@ ] ], "1": [ - "versions.yml:md5,3db8a4b45ffebff2eac6118cbca4bb4e" + "versions.yml:md5,2a295ece38dbed69c3a865da59cbd36e" ], "mzml": [ [ @@ -34,14 +34,14 @@ ] ], "versions": [ - "versions.yml:md5,3db8a4b45ffebff2eac6118cbca4bb4e" + "versions.yml:md5,2a295ece38dbed69c3a865da59cbd36e" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T12:13:32.716358119" + "timestamp": "2025-01-27T09:57:44.129648263" } } \ No newline at end of file diff --git a/modules/nf-core/openms/peptideindexer/environment.yml b/modules/nf-core/openms/peptideindexer/environment.yml index d6e51812af3..db74dae3815 100644 --- a/modules/nf-core/openms/peptideindexer/environment.yml +++ b/modules/nf-core/openms/peptideindexer/environment.yml @@ -3,4 +3,4 @@ channels: - conda-forge - bioconda dependencies: - - "bioconda::openms=3.2.0" + - "bioconda::openms=3.3.0" diff --git a/modules/nf-core/openms/peptideindexer/main.nf b/modules/nf-core/openms/peptideindexer/main.nf index 2bf824c3931..18cb37bff3e 100644 --- a/modules/nf-core/openms/peptideindexer/main.nf +++ b/modules/nf-core/openms/peptideindexer/main.nf @@ -4,15 +4,14 @@ process OPENMS_PEPTIDEINDEXER { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms:3.2.0--haddbca4_4': - 'biocontainers/openms:3.2.0--haddbca4_4' }" + 'https://depot.galaxyproject.org/singularity/openms:3.3.0--h0656172_8' : + 'biocontainers/openms:3.3.0--h0656172_8' }" input: - tuple val(meta), path(id_file) - tuple val(meta), path(id_fasta) + tuple val(meta), path(idxml), path(fasta) output: - tuple val(meta), path("*.idXML"), emit: id_file_pi + tuple val(meta), path("*.idXML"), emit: indexed_idxml path "versions.yml" , emit: versions when: @@ -20,15 +19,17 @@ process OPENMS_PEPTIDEINDEXER { script: def args = task.ext.args ?: '' - def prefix = task.ext.prefix ?: "${meta.id}_pi" + def prefix = task.ext.prefix ?: "${meta.id}_indexed" + def fasta_file = fasta ? "-fasta ${fasta}": "" + """ PeptideIndexer \\ - -in $id_file \\ - -fasta $id_fasta \\ + -in $idxml \\ + $fasta_file \\ -out ${prefix}.idXML \\ -threads $task.cpus \\ - $args \\ + $args cat <<-END_VERSIONS > versions.yml "${task.process}": @@ -38,7 +39,7 @@ process OPENMS_PEPTIDEINDEXER { stub: def args = task.ext.args ?: '' - def prefix = task.ext.prefix ?: "${meta.id}_pi" + def prefix = task.ext.prefix ?: "${meta.id}_indexed" """ touch ${prefix}.idXML diff --git a/modules/nf-core/openms/peptideindexer/meta.yml b/modules/nf-core/openms/peptideindexer/meta.yml index 10f808d2385..c55a5927122 100644 --- a/modules/nf-core/openms/peptideindexer/meta.yml +++ b/modules/nf-core/openms/peptideindexer/meta.yml @@ -20,31 +20,26 @@ input: type: map description: | Groovy Map containing sample information - e.g. `[ id:'sample1', single_end:false ]` - - id_file: + e.g. `[ id:'sample1' ]` + - idxml: type: file description: idXML identification file - pattern: "*.{idXML}" - - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. `[ id:'sample1', single_end:false ]` - - id_fasta: + pattern: "*.idXML" + - fasta: type: file description: Input sequence database in FASTA format pattern: "*.fasta" output: - - id_file_pi: + - indexed_idxml: - meta: type: map description: | Groovy Map containing sample information - e.g. `[ id:'sample1', single_end:false ]` + e.g. `[ id:'sample1' ]` - "*.idXML": type: file description: Refreshed idXML identification file - pattern: "*.{idXML}" + pattern: "*.idXML" - versions: - versions.yml: type: file diff --git a/modules/nf-core/openms/peptideindexer/tests/main.nf.test b/modules/nf-core/openms/peptideindexer/tests/main.nf.test index 1238bc361de..df8bded7cc5 100644 --- a/modules/nf-core/openms/peptideindexer/tests/main.nf.test +++ b/modules/nf-core/openms/peptideindexer/tests/main.nf.test @@ -3,13 +3,12 @@ nextflow_process { name "Test Process OPENMS_PEPTIDEINDEXER" script "../main.nf" process "OPENMS_PEPTIDEINDEXER" - config "./nextflow.config" tag "modules" tag "modules_nfcore" tag "openms" - tag "openms/decoydatabase" tag "openms/peptideindexer" + tag "openms/decoydatabase" setup { run("OPENMS_DECOYDATABASE") { @@ -18,24 +17,23 @@ nextflow_process { """ input[0] = [ [id:'test'], - file(params.modules_testdata_base_path + 'proteomics/database/UP000005640_9606.fasta', checkIfExists: true) + file(params.modules_testdata_base_path + 'proteomics/database/yeast_UPS.fasta', checkIfExists: true) ] """ } } } - test("proteomics - refresh_idxml") { + test("proteomics - refresh_idxml") { when { process { """ input[0] = [ [id:'test'], - file(params.modules_testdata_base_path + 'proteomics/openms/HepG2_rep1_small.idXML', checkIfExists: true) + file(params.modules_testdata_base_path + 'proteomics/openms/HepG2_rep1_small.idXML', checkIfExists: true), + OPENMS_DECOYDATABASE.out.decoy_fasta[0][1] ] - input[1] = OPENMS_DECOYDATABASE.out.decoy_fasta - """ } } @@ -46,7 +44,6 @@ nextflow_process { { assert snapshot(process.out).match() } ) } - } test("proteomics - refresh_idxml - stub") { @@ -58,10 +55,9 @@ nextflow_process { """ input[0] = [ [id:'test'], - file(params.modules_testdata_base_path + 'proteomics/openms/HepG2_rep1_small.idXML', checkIfExists: true) + file(params.modules_testdata_base_path + 'proteomics/openms/HepG2_rep1_small.idXML', checkIfExists: true), + OPENMS_DECOYDATABASE.out.decoy_fasta[0][1] ] - input[1] = OPENMS_DECOYDATABASE.out.decoy_fasta - """ } } @@ -72,7 +68,5 @@ nextflow_process { { assert snapshot(process.out).match() } ) } - } - } diff --git a/modules/nf-core/openms/peptideindexer/tests/main.nf.test.snap b/modules/nf-core/openms/peptideindexer/tests/main.nf.test.snap index bc41f96655e..bc283a3370a 100644 --- a/modules/nf-core/openms/peptideindexer/tests/main.nf.test.snap +++ b/modules/nf-core/openms/peptideindexer/tests/main.nf.test.snap @@ -3,34 +3,24 @@ "content": [ { "0": [ - [ - { - "id": "test" - }, - "test_pi.idXML:md5,f18620bed99c99f292b4e1804c3a47ad" - ] + ], "1": [ - "versions.yml:md5,01ee06728114ec0a7b0980ad83eedd42" + ], - "id_file_pi": [ - [ - { - "id": "test" - }, - "test_pi.idXML:md5,f18620bed99c99f292b4e1804c3a47ad" - ] + "indexed_idxml": [ + ], "versions": [ - "versions.yml:md5,01ee06728114ec0a7b0980ad83eedd42" + ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T11:26:20.161342857" + "timestamp": "2025-01-28T10:38:52.253777904" }, "proteomics - refresh_idxml - stub": { "content": [ @@ -40,29 +30,29 @@ { "id": "test" }, - "test_pi.idXML:md5,d41d8cd98f00b204e9800998ecf8427e" + "test_indexed.idXML:md5,d41d8cd98f00b204e9800998ecf8427e" ] ], "1": [ - "versions.yml:md5,01ee06728114ec0a7b0980ad83eedd42" + "versions.yml:md5,b7c2ec6b3b6a287ffacfe1b91977bff0" ], - "id_file_pi": [ + "indexed_idxml": [ [ { "id": "test" }, - "test_pi.idXML:md5,d41d8cd98f00b204e9800998ecf8427e" + "test_indexed.idXML:md5,d41d8cd98f00b204e9800998ecf8427e" ] ], "versions": [ - "versions.yml:md5,01ee06728114ec0a7b0980ad83eedd42" + "versions.yml:md5,b7c2ec6b3b6a287ffacfe1b91977bff0" ] } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T11:26:28.558838022" + "timestamp": "2025-01-28T15:08:52.058836152" } } \ No newline at end of file diff --git a/modules/nf-core/openms/peptideindexer/tests/nextflow.config b/modules/nf-core/openms/peptideindexer/tests/nextflow.config deleted file mode 100644 index 33c1adcd7a6..00000000000 --- a/modules/nf-core/openms/peptideindexer/tests/nextflow.config +++ /dev/null @@ -1,9 +0,0 @@ -process { - - withName:OPENMS_PEPTIDEINDEXER { - - ext.args = "-missing_decoy_action 'silent' -unmatched_action 'remove'" - - } - -} diff --git a/modules/nf-core/openmsthirdparty/cometadapter/environment.yml b/modules/nf-core/openmsthirdparty/cometadapter/environment.yml index dfc10603608..2e67e21bb8c 100644 --- a/modules/nf-core/openmsthirdparty/cometadapter/environment.yml +++ b/modules/nf-core/openmsthirdparty/cometadapter/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - "bioconda::openms-thirdparty=3.2.0" + - "bioconda::openms-thirdparty=3.3.0" diff --git a/modules/nf-core/openmsthirdparty/cometadapter/main.nf b/modules/nf-core/openmsthirdparty/cometadapter/main.nf index 15a28391d56..c75735f5608 100644 --- a/modules/nf-core/openmsthirdparty/cometadapter/main.nf +++ b/modules/nf-core/openmsthirdparty/cometadapter/main.nf @@ -4,8 +4,8 @@ process OPENMSTHIRDPARTY_COMETADAPTER { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/openms-thirdparty:3.2.0--h9ee0642_4' : - 'biocontainers/openms-thirdparty:3.2.0--h9ee0642_4' }" + 'https://depot.galaxyproject.org/singularity/openms-thirdparty:3.3.0--h9ee0642_8' : + 'biocontainers/openms-thirdparty:3.3.0--h9ee0642_8' }" input: tuple val(meta), path(mzml), path(fasta) diff --git a/modules/nf-core/openmsthirdparty/cometadapter/tests/main.nf.test.snap b/modules/nf-core/openmsthirdparty/cometadapter/tests/main.nf.test.snap index 939aa4151ec..d95fcfb946e 100644 --- a/modules/nf-core/openmsthirdparty/cometadapter/tests/main.nf.test.snap +++ b/modules/nf-core/openmsthirdparty/cometadapter/tests/main.nf.test.snap @@ -45,15 +45,15 @@ "content": [ { "OPENMSTHIRDPARTY_COMETADAPTER": { - "CometAdapter": "3.2.0", + "CometAdapter": "3.3.0", "Comet": "2023.01 rev. 2" } } ], "meta": { - "nf-test": "0.9.0", - "nextflow": "24.04.4" + "nf-test": "0.9.2", + "nextflow": "24.10.4" }, - "timestamp": "2024-10-08T11:29:53.094774827" + "timestamp": "2025-01-27T09:42:28.84181934" } } \ No newline at end of file