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Install protoclust in fcps.eb; add checksums to easyconfig; install clustbench from github in conda/pip; broaden clustering datasets
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8 files changed

+136
-92
lines changed

Clustering.yaml

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
id: clustering_example
2-
description: Clustering benchmark on Gagolewski's, true number of clusters plus minus 2. Caution dirty apptainer sifs.
3-
version: 1.1_root_apptainer
2+
description: Clustering benchmark on Gagolewski's, true number of clusters plus minus 2.
3+
version: 1.1
44
benchmarker: "Izaskun Mallona, Daniel Incicau"
55
storage: https://play.min.io
66
benchmark_yaml_spec: 0.01
@@ -46,11 +46,11 @@ stages:
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# - values: ["--dataset_generator", "mnist", "--dataset_name", "digits"]
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# - values: ["--dataset_generator", "wut", "--dataset_name", "circles"]
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- values: ["--dataset_generator", "wut", "--dataset_name", "cross"]
49-
# - values: ["--dataset_generator", "wut", "--dataset_name", "graph"]
50-
# - values: ["--dataset_generator", "wut", "--dataset_name", "isolation"]
51-
# - values: ["--dataset_generator", "wut", "--dataset_name", "labirynth"]
52-
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk1"]
53-
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk2"]
49+
- values: ["--dataset_generator", "wut", "--dataset_name", "graph"]
50+
- values: ["--dataset_generator", "wut", "--dataset_name", "isolation"]
51+
- values: ["--dataset_generator", "wut", "--dataset_name", "labirynth"]
52+
- values: ["--dataset_generator", "wut", "--dataset_name", "mk1"]
53+
- values: ["--dataset_generator", "wut", "--dataset_name", "mk2"]
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# - values: ["--dataset_generator", "wut", "--dataset_name", "mk3"]
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# - values: ["--dataset_generator", "wut", "--dataset_name", "mk4"]
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# - values: ["--dataset_generator", "wut", "--dataset_name", "olympic"]

Clustering_conda.yml

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
id: clustering_example
2-
description: Clustering benchmark on Gagolewski's, true number of clusters plus minus 2. Caution dirty apptainer sifs.
3-
version: 1.1_root_apptainer
2+
description: Clustering benchmark on Gagolewski's, true number of clusters plus minus 2.
3+
version: 1.1
44
benchmarker: "Izaskun Mallona, Daniel Incicau"
55
storage: https://play.min.io
66
benchmark_yaml_spec: 0.01
@@ -46,11 +46,11 @@ stages:
4646
# - values: ["--dataset_generator", "mnist", "--dataset_name", "digits"]
4747
# - values: ["--dataset_generator", "wut", "--dataset_name", "circles"]
4848
- values: ["--dataset_generator", "wut", "--dataset_name", "cross"]
49-
# - values: ["--dataset_generator", "wut", "--dataset_name", "graph"]
50-
# - values: ["--dataset_generator", "wut", "--dataset_name", "isolation"]
51-
# - values: ["--dataset_generator", "wut", "--dataset_name", "labirynth"]
52-
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk1"]
53-
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk2"]
49+
- values: ["--dataset_generator", "wut", "--dataset_name", "graph"]
50+
- values: ["--dataset_generator", "wut", "--dataset_name", "isolation"]
51+
- values: ["--dataset_generator", "wut", "--dataset_name", "labirynth"]
52+
- values: ["--dataset_generator", "wut", "--dataset_name", "mk1"]
53+
- values: ["--dataset_generator", "wut", "--dataset_name", "mk2"]
5454
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk3"]
5555
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk4"]
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# - values: ["--dataset_generator", "wut", "--dataset_name", "olympic"]

Clustering_envmodules.yml

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
id: clustering_example
2-
description: Clustering benchmark on Gagolewski's, true number of clusters plus minus 2. Caution dirty apptainer sifs.
3-
version: 1.1_root_apptainer
2+
description: Clustering benchmark on Gagolewski's, true number of clusters plus minus 2.
3+
version: 1.1
44
benchmarker: "Izaskun Mallona, Daniel Incicau"
55
storage: https://play.min.io
66
benchmark_yaml_spec: 0.01
@@ -46,11 +46,11 @@ stages:
4646
# - values: ["--dataset_generator", "mnist", "--dataset_name", "digits"]
4747
# - values: ["--dataset_generator", "wut", "--dataset_name", "circles"]
4848
- values: ["--dataset_generator", "wut", "--dataset_name", "cross"]
49-
# - values: ["--dataset_generator", "wut", "--dataset_name", "graph"]
50-
# - values: ["--dataset_generator", "wut", "--dataset_name", "isolation"]
51-
# - values: ["--dataset_generator", "wut", "--dataset_name", "labirynth"]
52-
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk1"]
53-
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk2"]
49+
- values: ["--dataset_generator", "wut", "--dataset_name", "graph"]
50+
- values: ["--dataset_generator", "wut", "--dataset_name", "isolation"]
51+
- values: ["--dataset_generator", "wut", "--dataset_name", "labirynth"]
52+
- values: ["--dataset_generator", "wut", "--dataset_name", "mk1"]
53+
- values: ["--dataset_generator", "wut", "--dataset_name", "mk2"]
5454
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk3"]
5555
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk4"]
5656
# - values: ["--dataset_generator", "wut", "--dataset_name", "olympic"]

Clustering_singularity.yml

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
id: clustering_example
2-
description: Clustering benchmark on Gagolewski's, true number of clusters plus minus 2. Caution dirty apptainer sifs.
3-
version: 1.1_root_apptainer
2+
description: Clustering benchmark on Gagolewski's, true number of clusters plus minus 2.
3+
version: 1.1
44
benchmarker: "Izaskun Mallona, Daniel Incicau"
55
storage: https://play.min.io
66
benchmark_yaml_spec: 0.01
@@ -46,11 +46,11 @@ stages:
4646
# - values: ["--dataset_generator", "mnist", "--dataset_name", "digits"]
4747
# - values: ["--dataset_generator", "wut", "--dataset_name", "circles"]
4848
- values: ["--dataset_generator", "wut", "--dataset_name", "cross"]
49-
# - values: ["--dataset_generator", "wut", "--dataset_name", "graph"]
50-
# - values: ["--dataset_generator", "wut", "--dataset_name", "isolation"]
51-
# - values: ["--dataset_generator", "wut", "--dataset_name", "labirynth"]
52-
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk1"]
53-
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk2"]
49+
- values: ["--dataset_generator", "wut", "--dataset_name", "graph"]
50+
- values: ["--dataset_generator", "wut", "--dataset_name", "isolation"]
51+
- values: ["--dataset_generator", "wut", "--dataset_name", "labirynth"]
52+
- values: ["--dataset_generator", "wut", "--dataset_name", "mk1"]
53+
- values: ["--dataset_generator", "wut", "--dataset_name", "mk2"]
5454
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk3"]
5555
# - values: ["--dataset_generator", "wut", "--dataset_name", "mk4"]
5656
# - values: ["--dataset_generator", "wut", "--dataset_name", "olympic"]

envs/README.md

Lines changed: 2 additions & 2 deletions
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@@ -54,5 +54,5 @@ Lorem ipsum.
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1. Mind https://github.com/easybuilders/easybuild-easyconfigs/commit/e29210626f076e3a207f1abf3759ea124e28f8b2
5555
2. Mind `clustbench` is only installable from https://github.com/gagolews/genieclust/archive/refs/tags/v1.1.6.tar.gz and not from pypi's tgz (!), download it locally and ideally update the easyconfig to automate this
5656
3. `python3-wget` from pypi doesn't look very well maintaned
57-
4. `eb fcps.eb --robot --ignore-checksums`
58-
5. `eb clustbench.eb --robot --ignore-checksums`
57+
4. `eb fcps.eb --robot`
58+
5. `eb clustbench.eb --robot`

envs/clustbench.eb

Lines changed: 26 additions & 18 deletions
Original file line numberDiff line numberDiff line change
@@ -67,27 +67,35 @@ source_urls = [PYPI_SOURCE,
6767
## todo automate this within the easyconfig!
6868

6969
exts_list = [
70-
## ('meson_python', '0.17.1'),
71-
## ('pybind11', '2.13.6'),
72-
## ('cycler', '0.12.1'),
73-
## ('matplotlib', '3.9.0'),
74-
('natsort', '8.4.0'),
75-
('cython', '3.0.11'),
76-
('hypothesis', '6.124.7'),
77-
('numpy', '1.26.4'),
78-
('fastcluster', '1.2.6'),
79-
('genieclust', '1.1.6'),
80-
## ('wget', '3.2'), ## skipped because shipped as a zipfile (?) these wgets are not maintained
81-
('hurry.filesize', '0.9'),
70+
('natsort', '8.4.0', {
71+
'checksums': ['45312c4a0e5507593da193dedd04abb1469253b601ecaf63445ad80f0a1ea581'],
72+
}),
73+
('cython', '3.0.11', {
74+
'checksums': ['7146dd2af8682b4ca61331851e6aebce9fe5158e75300343f80c07ca80b1faff'],
75+
}),
76+
('hypothesis', '6.124.7', {
77+
'checksums': ['8ed6c6ae47e7d26d869c1dc3dee04e8fc50c95240715bb9915ded88d6d920f0e'],
78+
}),
79+
('numpy', '1.26.4', {
80+
'checksums': ['2a02aba9ed12e4ac4eb3ea9421c420301a0c6460d9830d74a9df87efa4912010'],
81+
}),
82+
('fastcluster', '1.2.6', {
83+
'checksums': ['aab886efa7b6bba7ac124f4498153d053e5a08b822d2254926b7206cdf5a8aa6'],
84+
}),
85+
('genieclust', '1.1.6', {
86+
'checksums': ['fb5b4ff68eef9e73496afa5949e726c8522c72e51f092716a6a598b03d5c09d6'],
87+
}),
88+
('hurry.filesize', '0.9', {
89+
'checksums': ['f5368329adbef86accd3bc9490522340bb79260455ae89b1a42c10f63801b9a6'],
90+
}),
8291
('python3-wget', '0.0.2-beta1', {
83-
'modulename': 'wget'
92+
'modulename': 'wget',
93+
'checksums': ['bbe7f44b3c28c4f7126aff20e8a438e78f6e4f1878d8b0c4940e87363813c17d'],
8494
}),
85-
## ('joblib', '1.4.2'),
86-
## ('threadpoolctl', '3.5.0'),
87-
## ('scikit-learn', '1.4.2'), #'1.6.1'),
8895
('clustering_benchmarks', '1.1.5', {
89-
'modulename': 'clustbench'
90-
})
96+
'modulename': 'clustbench',
97+
'checksums': ['1732c262fb13be2f88814ef9a19c60108e91a7f6cfb9b960a42feaa299034ea3'],
98+
}),
9199
]
92100

93101
sanity_check_paths = {

envs/clustbench.yml

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -6,7 +6,8 @@ dependencies:
66
- conda-forge::python=3.12.6
77
- conda-forge::pip
88
- pip:
9-
- "clustering-benchmarks==1.1.5"
9+
#- "clustering-benchmarks==1.1.5"
10+
- 'https://github.com/gagolews/clustering-benchmarks/releases/download/v1.1.5/clustering_benchmarks-1.1.5.tar.gz'
1011
- "wget"
1112
- "fastcluster==1.2.6"
1213
- "numpy==1.26.4"

envs/fcps.eb

Lines changed: 78 additions & 43 deletions
Original file line numberDiff line numberDiff line change
@@ -54,30 +54,58 @@ exts_list = [
5454
'checksums': ['4cd9a63b3b41b08fca8121dc5b8f43d6f7d580842b1b000055dee90b68f49982'],
5555
}),
5656
('gsl', '2.1-8', {
57-
'installopts': "--configure-args='--with-gsl=${EBROOTGSL} --enable-bundled-gsl=false'",
57+
'installopts': "--configure-args='--with-gsl=${EBROOTGSL} --enable-bundled-gsl=false'",
58+
'checksums': ['f33609bf485abd190e65ff5d0fdab438b759294c47b921d983d89d6f053a2d95'],
59+
}),
60+
('boot', '1.3-31', {
61+
'checksums': ['d8542e8cd1b503ca412e774908f386c0522a991296d57560ebded0f3d201c8d2'],
62+
}),
63+
('matrixStats', '1.4.1', {
64+
'checksums': ['ac6d65cab6ca30926f35bc3bc59b869946ae92e4738ceca90fad6620fc6ecd10'],
5865
}),
59-
('boot', '1.3-31'),
60-
('matrixStats', '1.4.1'),
6166
('MatrixGenerics', '1.14.0', {
6267
'checksums': ['8da491661e8581adf1f2f8c5d2f46272d92b6c5a639bf4a80140c05e5694a593'],
6368
}),
64-
('lattice', '0.22-6'),
65-
('Matrix', '1.6-5'),
66-
('generics', '0.1.3'),
67-
('findpython', '1.0.9'),
68-
('R6', '2.5.1'),
69-
('jsonlite', '1.8.9'),
70-
('argparse', '2.2.5'),
71-
('gtable', '0.3.6'),
72-
## ('isoband', '0.2.7'),
73-
('MASS', '7.3-59'),
74-
('nlme', '3.1-167'),
75-
## ('mgcv', '1.9-1'),
76-
## ('scales', '1.3.0'),
77-
('tibble', '3.2.1'),
78-
('vctrs', '0.6.5'),
79-
('withr', '3.0.2'),
80-
('RColorBrewer', '1.1-3', {
69+
('lattice', '0.22-6', {
70+
'checksums': ['4b377211e472ece7872b9d6759f9b9c660b09594500462eb6146312a1d4d00f7'],
71+
}),
72+
('Matrix', '1.6-5', {
73+
'checksums': ['726c8d46626e73d1d6e76a74679813c6df96ffdee1aee45d94e7014cb4ceb97d'],
74+
}),
75+
('generics', '0.1.3', {
76+
'checksums': ['75046163bfa8b8a4f4214c1b689e796207f6447182f2e5062cf570302387d053'],
77+
}),
78+
('findpython', '1.0.9', {
79+
'checksums': ['b6a15e0cdfcdd4b1cfc76f7e4eaad0125d4d52889711200075280e9b2a2cb7cb'],
80+
}),
81+
('R6', '2.5.1', {
82+
'checksums': ['8d92bd29c2ed7bf15f2778618ffe4a95556193d21d8431a7f75e7e5fc102bf48'],
83+
}),
84+
('jsonlite', '1.8.9', {
85+
'checksums': ['89f130e0e1163328c01decd54e7712b5ebf3d0a667da0052833722cb9a6e90b0'],
86+
}),
87+
('argparse', '2.2.5', {
88+
'checksums': ['53c8a9eb51041084eb3d9c271b14ebcb32dc2f50cf16afa5c54c504a97229ea4'],
89+
}),
90+
('gtable', '0.3.6', {
91+
'checksums': ['d305a5fa11278b649d2d8edc5288bf28009be888a42be58ff8714018e49de0ef'],
92+
}),
93+
('MASS', '7.3-59', {
94+
'checksums': ['454200bec7a52835fbb7f9fe8e01a7aaa728b3ab87b068fc6d900e01c930da5a'],
95+
}),
96+
('nlme', '3.1-167', {
97+
'checksums': ['dadc9ccb9b2089a533547437edd256a29a0e059365f11a81e7390bf48f2a8a49'],
98+
}),
99+
('tibble', '3.2.1', {
100+
'checksums': ['65a72d0c557fd6e7c510d150c935ed6ced5db7d05fc20236b370f11428372131'],
101+
}),
102+
('vctrs', '0.6.5', {
103+
'checksums': ['43167d2248fd699594044b5c8f1dbb7ed163f2d64761e08ba805b04e7ec8e402'],
104+
}),
105+
('withr', '3.0.2', {
106+
'checksums': ['0a3a05f493d275cca4bf13c8c1b95a1a4eed7f83b2493f41fde02ce3fc92c1a3'],
107+
}),
108+
('RColorBrewer', '1.1-3', {
81109
'checksums': ['4f42f5423c45688b39f492c7892d93f37b4541831c8ffb140364d2bd89031ac0'],
82110
}),
83111
('png', '0.1-8', {
@@ -147,20 +175,10 @@ exts_list = [
147175
'checksums': ['7c58b424f99b3634038e6f6d1fe4b0241b8aecb50e9c50466d5590f7e3144721'],
148176
}),
149177
('Rhdf5lib', '1.24.1', {
150-
## 'patches': ['Rhdf5lib-1.20.0_fix_hardcoded_path_to_mv.patch'],
151-
## 'checksums': [
152-
## {'Rhdf5lib_1.24.1.tar.gz': '90eb76a2f6b73e18c8fb560ab14e5e3a2c85ae747f278d66e67d3bebfe6c6551'},
153-
## {'Rhdf5lib-1.20.0_fix_hardcoded_path_to_mv.patch':
154-
## 'fd35fd20166aa67cf5fbc194861d9196a2220fd40057b0524722ecc3de4774e8'},
155-
## ],
178+
'checksums': ['90eb76a2f6b73e18c8fb560ab14e5e3a2c85ae747f278d66e67d3bebfe6c6551'],
156179
}),
157180
('RProtoBufLib', '2.14.0', {
158-
## 'patches': ['RProtoBufLib-2.8.0_fix-protobuf-build.patch'],
159-
## 'checksums': [
160-
## {'RProtoBufLib_2.14.0.tar.gz': 'd8c0c6ced9ea9bb661288697fbbdb1ffb754dd8d2af85132b039fbe666242ac4'},
161-
## {'RProtoBufLib-2.8.0_fix-protobuf-build.patch':
162-
## '8775d74e2288000c57575f4ef45a875b4a377ac02f89efa947699ea786bedf64'},
163-
## ],
181+
'checksums': ['d8c0c6ced9ea9bb661288697fbbdb1ffb754dd8d2af85132b039fbe666242ac4'],
164182
}),
165183
('BH', '1.84.0-0', {
166184
'checksums': ['6fb660755f572cd975073d7052075654acf8db12d208954ca223b8e4f77ef1ac'],
@@ -171,37 +189,54 @@ exts_list = [
171189
('flowCore', '2.14.0', {
172190
'checksums': ['6d21a43022eb6de907fdc025116bccacbf2ee997c5cf7ad96d0f70fa6d605185'],
173191
}),
174-
('cluster', '2.1.8'),
175-
('graph', '1.84.1'),
176-
('mclust', '6.1.1'),
192+
('cluster', '2.1.8', {
193+
'checksums': ['c32a462e34694c99d58da953efa74882b5427f8c5db7cb226ae15c54ce6060ca'],
194+
}),
195+
('graph', '1.84.1', {
196+
'checksums': ['cd2a91c93c81c09d9c59853c417e8a9cdde39b0589bacdce4ca916b6ee5f45a7'],
197+
}),
198+
('mclust', '6.1.1', {
199+
'checksums': ['ddd7018e5e6ea7f92c7fc9872b391491b7e91c2cd89ef1dcaf4408afb5116775'],
200+
}),
177201
('flowClust', '3.40.0', {
178202
'installopts': "--configure-args='--with-gsl=${EBROOTGSL} --enable-bundled-gsl=false'",
179203
'checksums': ['7e699b06e378e32144704dbec18289109980b0f5eca166180f2c30007b83e0f5'],
180204
}),
181205
('energy', '1.7-12', {
182-
'installopts': "--configure-args='--with-gsl=${EBROOTGSL} --enable-bundled-gsl=false'",
206+
'installopts': "--configure-args='--with-gsl=${EBROOTGSL} --enable-bundled-gsl=false'",
207+
'checksums': ['ac2224befa4c6ab62f99816ff670b1ee35288cabb7db362257e9af21c87e6f72'],
208+
}),
209+
('dbscan', '1.2.2', {
210+
'checksums': ['0c3abdd122521d9be8cbdb3589a91a18ef18a3d00493fdb140fd932bae0fe343'],
183211
}),
184-
('dbscan', '1.2.2'),
185212
('pixmap', '0.4-13', {
186213
'checksums': ['e3dbc641a0497575b45a4140dadc6bf43cdf39b02393f93f1b0ee4f4d026e711'],
187214
}),
188215
('sp', '2.1-4', {
189216
'checksums': ['e185e7fb61d2d7dbc50fd765a93e170fa778083a653588db1f5e99d019479f0a'],
190217
}),
191-
('pracma', '2.4.4'),
218+
('pracma', '2.4.4', {
219+
'checksums': ['1a4ef3af2197f999dbaa614bf5a70f09ec463d8c91feb5aa0d995de24ec6ba7f'],
220+
}),
192221
('RcppArmadillo', '14.0.2-1', {
193-
'checksums': ['e0755c37f1a70c4509df2a8f773db11418d9758ff81993f096f913d2116e04f5'],
222+
'checksums': ['9b728aab93f04a46891208ee0f15824a69fe5f91f6108d0d23101a98450c46f9'],
223+
}),
224+
('DataVisualizations', '1.3.3', {
225+
'checksums': ['b737db909b5650044852db0d6ac67bff207ed03a7952708c8dd704dda4d1bef3'],
226+
}),
227+
('protoclust', '1.6.4', {
228+
'checksums': ['4177a045dcfefabb842b11cf7d23c503fdd4d807877e1677f9440ad6ba4c7431'],
229+
}),
230+
('FCPS', version, {
231+
'checksums': ['d1e5e06700a81fe529f52ef1f65977d3c786f33df262f4f89238d2622dc7ba97'],
194232
}),
195-
('DataVisualizations', '1.3.3'),
196-
('FCPS', '1.3.4'),
197-
198233
]
199234

200235
modextrapaths = {'R_LIBS_SITE': ''}
201236

202237
sanity_check_paths = {
203238
'files': [],
204-
'dirs': ['FCPS', 'dbscan', 'energy'],
239+
'dirs': ['FCPS', 'dbscan', 'energy', 'protoclust'],
205240
}
206241

207242
moduleclass = 'bio'

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