progress on #39 and #102

102_krakenuniq/krakenuniq.eb

@@ -11,9 +11,11 @@ toolchain = {'name': 'foss', 'version': '2022a'}
 github_account = 'fbreitwieser'
 source_urls = [GITHUB_SOURCE]
 sources = ['v%(version)s.tar.gz']
+checksums = ['559b45081688118b4872e1b9153f83d0ae3414649a1b299ab4f9996d9e154403']
 
 dependencies = [
     ('Jellyfish', '2.3.0'),
+    ('bzip2', '1.0.8'),
 ]
 
 extract_sources = True
@@ -22,7 +24,7 @@ install_cmd = './install_krakenuniq.sh -l %(installdir)s/bin %(installdir)s '
 
 sanity_check_commands = [
     'krakenuniq --version',
-    'krakenuniq-download --db DBDIR taxonomy'
+    'krakenuniq-download --db %(installdir)s/DBDIR taxonomy && rm -r %(installdir)s/DBDIR'
 ]
 sanity_check_paths = {
     'files': ['bin/krakenuniq', 'bin/krakenuniq-build', 'bin/krakenuniq-report'],

102_krakenuniq/krakenuniq.eb.bak_20230320132025_3105902

@@ -0,0 +1,32 @@
+easyblock = 'Binary'
+
+name = 'KrakenUniq'
+version = '1.0.3'
+
+homepage = 'https://github.com/fbreitwieser/krakenuniq/'
+description = """KrakenUniq: confident and fast metagenomics classification using unique k-mer counts"""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+
+github_account = 'fbreitwieser'
+source_urls = [GITHUB_SOURCE]
+sources = ['v%(version)s.tar.gz']
+
+dependencies = [
+    ('Jellyfish', '2.3.0'),
+]
+
+extract_sources = True
+
+install_cmd = './install_krakenuniq.sh -l %(installdir)s/bin %(installdir)s '
+
+sanity_check_commands = [
+    'krakenuniq --version',
+    'krakenuniq-download --db %(installdir)s/DBDIR taxonomy && rm -r %(installdir)s/DBDIR'
+]
+sanity_check_paths = {
+    'files': ['bin/krakenuniq', 'bin/krakenuniq-build', 'bin/krakenuniq-report'],
+    'dirs': ['bin'],
+}
+
+moduleclass = 'bio'

39_alphapulldown/alphapulldown.eb

@@ -0,0 +1,41 @@
+easyblock = "PythonBundle"
+
+name = "AlphaPulldown"
+version = "0.30.1"
+
+homepage = "https://github.com/KosinskiLab/AlphaPulldown"
+description = """AlphaPulldown is a Python package that streamlines protein-protein
+interaction screens and high-throughput modelling of higher-order oligomers using AlphaFold-Multimer"""
+
+toolchain = {"name": "foss", "version": "2022a"}
+
+dependencies = [
+    ("Python", "3.10.4"),
+    ("OpenMM", "7.7.0"),
+    ("Kalign", "3.3.2"),
+]
+
+use_pip = True
+
+exts_list = [
+    ('cctbx-base', '2020.8', {
+        'sources': ['cctbx_base-%(version)s-0_py38h167b89d-cp38-cp38m-manylinux2010_x86_64.whl'],
+    }),
+    ("PDBFixer", "1.8.1", {
+        "source_urls": ["https://github.com/openmm/pdbfixer/archive/refs/tags/"],
+        "sources": [{"download_filename": "v%(version)s.tar.gz", "filename": SOURCE_TAR_GZ}]
+    }),
+    (name, version, {
+        "source_urls": ["https://github.com/KosinskiLab/AlphaPulldown/archive/refs/tags/"],
+        "sources": [{"download_filename": "%(version)s.tar.gz", "filename": SOURCE_TAR_GZ}]
+    })
+]
+
+sanity_pip_check = True
+
+sanity_check_paths = {
+    "files": [],
+    "dirs": ["lib/python%(pyshortver)s/site-packages"],
+}
+
+moduleclass = "data"

39_alphapulldown/easybuild-run_cmd-9banflvx.log

@@ -0,0 +1,3 @@
+# output for command: /apps/gent/RHEL8/haswell-ib/software/Python/3.10.4-GCCcore-11.3.0/bin/python -m pip install --prefix=/scratch/gent/vo/001/gvo00117/easybuild/RHEL8/haswell-ib/software/AlphaPulldown/0.30.1-foss-2022a  --no-deps  --ignore-installed  --no-index  --no-build-isolation  /data/gent/vo/001/gvo00117/easybuild/sources/a/AlphaPulldown/extensions/cctbx_base-2020.8-0_py38h167b89d-cp38-cp38m-manylinux2010_x86_64.whl
+
+ERROR: cctbx_base-2020.8-0_py38h167b89d-cp38-cp38m-manylinux2010_x86_64.whl is not a supported wheel on this platform.