scipion-em-xmipp 25.6.1__py3-none-any.whl → 26.0.0__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {scipion_em_xmipp-25.6.1.dist-info → scipion_em_xmipp-26.0.0.dist-info}/METADATA +5 -2
- {scipion_em_xmipp-25.6.1.dist-info → scipion_em_xmipp-26.0.0.dist-info}/RECORD +60 -55
- {scipion_em_xmipp-25.6.1.dist-info → scipion_em_xmipp-26.0.0.dist-info}/WHEEL +1 -1
- xmipp3/__init__.py +12 -12
- xmipp3/constants.py +1 -1
- xmipp3/legacy/__init__.py +0 -0
- xmipp3/legacy/protocols/__init__.py +0 -0
- xmipp3/legacy/tests/test_protocols_xmipp_movies.py +134 -0
- xmipp3/logParser.py +53 -0
- xmipp3/protocols/__init__.py +1 -1
- xmipp3/protocols/protocol_align_volume.py +1 -1
- xmipp3/protocols/protocol_align_volume_and_particles.py +18 -10
- xmipp3/protocols/protocol_break_symmetry.py +5 -5
- xmipp3/protocols/protocol_classify_pca.py +21 -21
- xmipp3/protocols/protocol_classify_pca_streaming.py +18 -10
- xmipp3/protocols/protocol_compare_reprojections.py +2 -2
- xmipp3/protocols/protocol_compute_likelihood.py +1 -1
- xmipp3/protocols/protocol_convert_pdb.py +1 -1
- xmipp3/protocols/protocol_ctf_correct_phase.py +89 -0
- xmipp3/protocols/protocol_ctf_micrographs.py +0 -4
- xmipp3/protocols/protocol_deep_center.py +21 -10
- xmipp3/protocols/protocol_deep_center_predict.py +18 -8
- xmipp3/protocols/protocol_deep_hand.py +1 -1
- xmipp3/protocols/protocol_deep_micrograph_screen.py +23 -9
- xmipp3/protocols/protocol_extract_asymmetric_unit.py +21 -11
- xmipp3/protocols/protocol_extract_particles.py +1 -1
- xmipp3/protocols/protocol_movie_alignment_consensus.py +1 -1
- xmipp3/protocols/protocol_movie_max_shift.py +18 -12
- xmipp3/protocols/protocol_movie_split_frames.py +1 -1
- xmipp3/protocols/protocol_particle_pick_consensus.py +1 -1
- xmipp3/protocols/protocol_preprocess/protocol_create_mask3d.py +6 -6
- xmipp3/protocols/protocol_preprocess/protocol_crop_resize.py +23 -5
- xmipp3/protocols/protocol_preprocess/protocol_process.py +1 -1
- xmipp3/protocols/protocol_ransac.py +1 -1
- xmipp3/protocols/protocol_reconstruct_highres.py +32 -56
- xmipp3/protocols/protocol_reconstruct_significant.py +1 -1
- xmipp3/protocols/protocol_reconstruct_swarm.py +10 -10
- xmipp3/protocols/protocol_resolution3d.py +34 -29
- xmipp3/protocols/protocol_resolution_fso.py +1 -1
- xmipp3/protocols/protocol_resolution_monogenic_signal.py +1 -1
- xmipp3/protocols/protocol_screen_deepConsensus.py +22 -27
- xmipp3/protocols/protocol_shift_particles.py +6 -7
- xmipp3/protocols/protocol_shift_volume.py +23 -4
- xmipp3/protocols/protocol_simulate_ctf.py +1 -1
- xmipp3/protocols/protocol_subtract_projection.py +1 -1
- xmipp3/protocols/protocol_validate_fscq.py +1 -1
- xmipp3/protocols/protocol_volume_adjust_sub.py +1 -1
- xmipp3/protocols/protocol_volume_strain.py +4 -4
- xmipp3/protocolsCollectInfo.py +280 -0
- xmipp3/tests/test_protocols_highres.py +1 -1
- xmipp3/tests/test_protocols_xmipp_2d.py +11 -17
- xmipp3/tests/test_protocols_xmipp_3d.py +3 -3
- xmipp3/tests/test_protocols_xmipp_movies.py +10 -149
- xmipp3/version.py +13 -6
- xmipp3/viewers/viewer_consensus_classes.py +18 -4
- xmipp3/viewers/viewer_structure_map.py +166 -5
- {scipion_em_xmipp-25.6.1.dist-info → scipion_em_xmipp-26.0.0.dist-info}/entry_points.txt +0 -0
- {scipion_em_xmipp-25.6.1.dist-info → scipion_em_xmipp-26.0.0.dist-info/licenses}/LICENSE +0 -0
- {scipion_em_xmipp-25.6.1.dist-info → scipion_em_xmipp-26.0.0.dist-info}/top_level.txt +0 -0
- /xmipp3/{protocols → legacy/protocols}/protocol_extract_particles_movies.py +0 -0
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Metadata-Version: 2.
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Metadata-Version: 2.4
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Name: scipion-em-xmipp
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Version:
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Version: 26.0.0
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Summary: Plugin to use Xmipp programs within the Scipion framework.
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Author-email: Oier Lauzirika Zarrabeitia <oierlauzi@bizkaia.eu>, Alberto Garcia Mena <alberto.garcia@cnb.csic.es>, Carlos Oscar Sanchez Sorzano <coss@cnb.csic.es>
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License: GNU General Public License v3 (GPLv3)
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Requires-Dist: peppercorn
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Requires-Dist: plotter
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Requires-Dist: PyWavelets
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Requires-Dist: xmipp3-installer==2.*
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Requires-Dist: numpy==1.*
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[](https://github.com/I2PC/scipion-em-xmipp/actions/workflows/build.yml)
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scipion_em_xmipp-26.0.0.dist-info/licenses/LICENSE,sha256=jOtLnuWt7d5Hsx6XXB2QxzrSe2sWWh3NgMfFRetluQM,35147
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xmipp3/__init__.py,sha256=4PeNbua-W_1eZBVeFmS5_iID8P0s97UJKSWEVKCnPks,13251
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xmipp3/base.py,sha256=ehZ6iRN1EpZHU_XTmonvoFpDf7xY_1tfPOHDB90KgCk,21294
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xmipp3/bibtex.py,sha256=YZjuuB_9RC4QOOy5r86cRX3ze2EWz43iGzIDQvtu5HQ,28310
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xmipp3/checkProtocolsConf.py,sha256=eJhADp1lv3Mdwe5yYdsVJcVzjelUCqoLHs43XSGzrDo,4428
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xmipp3/constants.py,sha256=
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xmipp3/constants.py,sha256=r24zKoKNKhc0rj0UWD6KrF18PAdBheX9fwKGobd-Y7Q,3954
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xmipp3/logParser.py,sha256=qiBJNqNxSP7o_6yDJkVgJV2OlzK0vMfpErzc2qCZ6Lo,2229
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xmipp3/programs.py,sha256=yrMD0EHEq5j_ODCeINbaCp4CEqSgkmioan1O1mAgPY0,11968
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xmipp3/protocols.conf,sha256=rqtLT-tHUh2L8AyQl3BAk5A926MyRwVEVAKprvByiEQ,14988
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xmipp3/protocolsCollectInfo.py,sha256=Y36i4yDjhcjzQvBAvB00rGhoRl3gxU2Vy8K_ZgSHl04,10059
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xmipp3/utils.py,sha256=JKuEdR40rn6pdm0puwsgzItbNnrFL4sa7pBymVtRzLM,9125
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xmipp3/version.py,sha256=
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xmipp3/version.py,sha256=75E4bkjhIA86kcNnpjapd2PaMptMj2rjr89LYoSvNN8,2101
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xmipp3/wizards.py,sha256=IgT3uCiOYBLOkhX7GWdKcwHOPyZD783HQG0jSjdovRk,20452
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xmipp3/xmipp_logo.png,sha256=ggrFNUy5UEBjvKfNvu0T14Kzolnhc-ij9AQ734R27MY,84496
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xmipp3/xmipp_logo_devel.png,sha256=IQI1XWogTHbJ5UClpatiNcZfwZB7U3zWG3oThpXOvmc,749745
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xmipp3/convert/convert.py,sha256=fcFljt804tFRjAWPWaGNktq5oz1jpdLOV3R59odhGCs,63249
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xmipp3/convert/dataimport.py,sha256=ssmMLKU1qXDuqjStNJv-zfYNJAJ-0k7EzNyF4jf91IU,13292
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xmipp3/convert/io_coordinates.py,sha256=ZUKEbL7DjJ0jDVJzs2Nnc-sX7QYuAyGSponhP6WYMDI,1963
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xmipp3/legacy/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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xmipp3/legacy/protocols/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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xmipp3/legacy/protocols/protocol_angular_resolution_alignment.py,sha256=EsKm1PfGkkpnzoKuhZqM-e1_99_XVtIBOIGhlgg45qM,8521
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xmipp3/legacy/protocols/protocol_apply_deformation_zernike3d.py,sha256=rlRxaTNmp8X0WBNwBZNF_QTCS38WnUzBtg1M25_aNOo,5673
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xmipp3/legacy/protocols/protocol_classification_gpuCorr.py,sha256=oiyTNfVp5GNgQD8hJsUl93N_jiEEvTdWAPhIYWBNKhE,37013
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xmipp3/legacy/protocols/protocol_deep_align.py,sha256=61Ju9mgKLB9Sk07KkwH3D932xP137kVsA-ca_9lnDHM,37232
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xmipp3/legacy/protocols/protocol_deep_denoising.py,sha256=z7lkqP8AylC1NMbHkGORUKLAiS9DAffInaZUpbYAAVo,21324
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xmipp3/legacy/protocols/protocol_enrich.py,sha256=pymPJpNAHUNtECe89-pdzcVmkdNbVN7kp1PGz9NgwYg,25080
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xmipp3/legacy/protocols/protocol_extract_particles_movies.py,sha256=uq5NtTvqe-ewFjIAaD3lN2RTaaPUgPbfjAiqnpwl13s,23298
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xmipp3/legacy/protocols/protocol_kmeans_clustering.py,sha256=VKQ3IRRvKMozBSSWb8dRBmoeGbsKjYgqZmuez1XAEWA,5664
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xmipp3/legacy/protocols/protocol_metaprotocol_create_output.py,sha256=-f_-TQodTDufYkhVzQCt8d4h55fKdRjUJzHvSH7s4Ns,6121
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xmipp3/legacy/protocols/protocol_metaprotocol_create_subset.py,sha256=Z1dg0H88x00b2W47Ta7qASbDND-zXyDKQnZ2dN2UPw4,3915
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xmipp3/legacy/tests/test_protocols_mixed_movies.py,sha256=4ao-hu9kk4B8LWwWVJedGcpFfzysb2p6Gr8mgP2DoD4,6225
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xmipp3/legacy/tests/test_protocols_solid_angles.py,sha256=vJ5hrZqRYfPrp9bP9SYLDqzVO__kL6AjAOBJOeajJR0,6985
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xmipp3/legacy/tests/test_protocols_xmipp_movies.py,sha256=LCcxGEUeixG1_qJpsCAAZYutmE3L30I8YonVmV3sFOY,15031
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xmipp3/tests/test_protocols_xmipp_movies.py,sha256=ILm8SxMt8zcNWHJh_2RsqRIgiyb2DqfcD0ZABhFIZxM,28098
|
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215
|
xmipp3/tests/test_protocols_zernike3d.py,sha256=bTXCK4wBKSJZK1KCZXec3j8y1mVLoBxE5bF3AGbOsNs,18132
|
|
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|
xmipp3/viewers/__init__.py,sha256=NyHVGW8GTDZ2o1rXW41bqj4XNEo6KcBRoMNktHFAHec,3647
|
|
211
217
|
xmipp3/viewers/plotter.py,sha256=YHDqAs7_rbv8cXMmwmg42YeeBnesdX44awrppX3VJw0,3875
|
|
@@ -215,7 +221,7 @@ xmipp3/viewers/viewer_analyze_local_ctf.py,sha256=-Oa7flu05KxP8M6AlZRaWKCRqZljRz
|
|
|
215
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|
xmipp3/viewers/viewer_apply_tilt_to_ctf.py,sha256=GdKDSI1FjcgvKxOrO6BOWPaLrYpMYh2AtXxB3BEK7So,3263
|
|
216
222
|
xmipp3/viewers/viewer_cl2d.py,sha256=7uBU6zYOkhYqjMNWFUPFbMOPsqWja9DaTssp_ju6AXw,8764
|
|
217
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|
xmipp3/viewers/viewer_cl2d_clustering.py,sha256=PKJbAyi_meEPgSEtOFE9vYusz0WLGaphDGeqee9BbpE,5768
|
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218
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-
xmipp3/viewers/viewer_consensus_classes.py,sha256=
|
|
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|
+
xmipp3/viewers/viewer_consensus_classes.py,sha256=Q9jt1bAb3ijiDuWLzlCsP2dKGfsXRuSGHQvI2kYHqlU,6286
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|
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|
xmipp3/viewers/viewer_ctf_consensus.py,sha256=gosd9D2iuTUHgdlQlHIGS_HBybThR1S8SBfgM096e_8,7669
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|
xmipp3/viewers/viewer_deepEMHancer.py,sha256=ok5e2NfPeK8Joa0Y7Wp0GQG00Pk7AAG19xOE42A1l6c,5741
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xmipp3/viewers/viewer_deep_consensus.py,sha256=8ebETC_KyoFHFC2s_WRip1h6DxopxCKYuGndYFJaFS4,5232
|
|
@@ -237,7 +243,7 @@ xmipp3/viewers/viewer_resolution_deepres.py,sha256=M1X9wW7V4yU0BaMxezFNSHhfd4Rpj
|
|
|
237
243
|
xmipp3/viewers/viewer_resolution_directional.py,sha256=SOnybW40HuMglekNnD-YGF2ZPMXLZuGf-AwmvRUNg98,20322
|
|
238
244
|
xmipp3/viewers/viewer_resolution_fso.py,sha256=CwLUN_w0jeKbn9CBFl_XJn0MTMtfatl6Hz6IlxqbGg4,16206
|
|
239
245
|
xmipp3/viewers/viewer_resolution_monogenic_signal.py,sha256=GCrWKLb9IFVcGY8zKzCNnXWy15T_jPPhM2uZjJ0un8c,11088
|
|
240
|
-
xmipp3/viewers/viewer_structure_map.py,sha256=
|
|
246
|
+
xmipp3/viewers/viewer_structure_map.py,sha256=bMnUfph3Nvoi_uiBNLtu4ztC-z3gw0dwey2J_xwR2zQ,23119
|
|
241
247
|
xmipp3/viewers/viewer_subtract_projection.py,sha256=UPm_G_CwTUgtgzVMtNCF3NFgnfwxJSy3HmaKYW2WECE,2860
|
|
242
248
|
xmipp3/viewers/viewer_swarm.py,sha256=liXSpVMNqO0YzcexF6hyl8n8V6j2t7yB8D42dHWIazk,2590
|
|
243
249
|
xmipp3/viewers/viewer_validate_fscq.py,sha256=bqb_va-BjTn1LpuyOroCPX3QeL104Kh2TX9faOBTH-E,18209
|
|
@@ -247,9 +253,8 @@ xmipp3/viewers/viewer_volume_consensus.py,sha256=S7YViiZ9w5xAGhfyj1RnDypVWsQ7PKh
|
|
|
247
253
|
xmipp3/viewers/viewer_volume_deform_zernike3d.py,sha256=BOeI7go5w2RRwGjV9kPm2U76tVJRaHww1Pl0zUCXQRw,8903
|
|
248
254
|
xmipp3/viewers/viewer_volume_strain.py,sha256=4LQUrceVMB6OaAfTpFXdn3vGv-sXQzUIPDEPELYfasY,2378
|
|
249
255
|
xmipp3/viewers/viewer_volume_subtraction.py,sha256=3RbwJQIaCcdzldrFODLgWlFbCips1450RDVzngLRRoU,5121
|
|
250
|
-
scipion_em_xmipp-
|
|
251
|
-
scipion_em_xmipp-
|
|
252
|
-
scipion_em_xmipp-
|
|
253
|
-
scipion_em_xmipp-
|
|
254
|
-
scipion_em_xmipp-
|
|
255
|
-
scipion_em_xmipp-25.6.1.dist-info/RECORD,,
|
|
256
|
+
scipion_em_xmipp-26.0.0.dist-info/METADATA,sha256=TapL-Yr1UasE-o3eUbVXQL8kBDBpWbnVJAm2pKbRR8U,2026
|
|
257
|
+
scipion_em_xmipp-26.0.0.dist-info/WHEEL,sha256=SmOxYU7pzNKBqASvQJ7DjX3XGUF92lrGhMb3R6_iiqI,91
|
|
258
|
+
scipion_em_xmipp-26.0.0.dist-info/entry_points.txt,sha256=9e0I0urUxrUF7LZfZbhoATUnLuGxyJTjj81mP7FhKm8,36
|
|
259
|
+
scipion_em_xmipp-26.0.0.dist-info/top_level.txt,sha256=qnLFoZzwKticb33xgeSAJv3P7nD2nHMTFKYzxAorOOQ,7
|
|
260
|
+
scipion_em_xmipp-26.0.0.dist-info/RECORD,,
|
xmipp3/__init__.py
CHANGED
|
@@ -45,8 +45,6 @@ NVIDIA_DRIVERS_MINIMUM_VERSION = 450
|
|
|
45
45
|
|
|
46
46
|
type_of_version = version.type_of_version
|
|
47
47
|
_logo = version._logo
|
|
48
|
-
_binTagVersion = version._binTagVersion
|
|
49
|
-
_pluginTagVersion= version._pluginTagVersion
|
|
50
48
|
_currentDepVersion = version._currentDepVersion
|
|
51
49
|
__version__ = version.__version__
|
|
52
50
|
|
|
@@ -151,30 +149,33 @@ class Plugin(pwem.Plugin):
|
|
|
151
149
|
|
|
152
150
|
# When changing dependencies, increment _currentDepVersion
|
|
153
151
|
CONDA_DEPENDENCIES = [
|
|
154
|
-
|
|
152
|
+
"'cmake>=3.18,<4'", #cmake-4 is not compatible with Relion compilation
|
|
155
153
|
"hdf5>=1.18",
|
|
156
154
|
"sqlite>=3",
|
|
157
155
|
"fftw>=3",
|
|
158
156
|
"make",
|
|
159
157
|
"zlib",
|
|
160
158
|
"openjdk",
|
|
161
|
-
"libtiff",
|
|
162
|
-
"libstdcxx-ng",
|
|
159
|
+
"'libtiff<=4.5.1'",
|
|
163
160
|
"libjpeg-turbo",
|
|
164
161
|
]
|
|
162
|
+
|
|
163
|
+
CONDA_LIBSTDCXX_PACKAGE = "libstdcxx-ng"
|
|
164
|
+
|
|
165
165
|
if Config.isCondaInstallation():
|
|
166
166
|
condaEnvPath = os.environ['CONDA_PREFIX']
|
|
167
167
|
scipionEnv=os.path.basename(condaEnvPath) # TODO: use pyworkflow method when released: Config.getEnvName()
|
|
168
168
|
|
|
169
169
|
commands = CondaCommandDef(scipionEnv, cls.getCondaActivationCmd())
|
|
170
|
-
commands.condaInstall('-c conda-forge --yes ' + ' '.join(CONDA_DEPENDENCIES))
|
|
170
|
+
#commands.condaInstall('-c conda-forge --yes ' + ' '.join(CONDA_DEPENDENCIES))
|
|
171
|
+
commands.condaInstall('-c conda-forge --yes ' + CONDA_LIBSTDCXX_PACKAGE)
|
|
171
172
|
commands.touch("deps_installed.txt")
|
|
172
173
|
env.addPackage(
|
|
173
174
|
'xmippDep', version=_currentDepVersion,
|
|
174
175
|
tar='void.tgz',
|
|
175
176
|
commands=commands.getCommands(),
|
|
176
177
|
neededProgs=['conda'],
|
|
177
|
-
default=
|
|
178
|
+
default=True
|
|
178
179
|
)
|
|
179
180
|
|
|
180
181
|
if develMode:
|
|
@@ -196,16 +197,15 @@ class Plugin(pwem.Plugin):
|
|
|
196
197
|
default=False
|
|
197
198
|
)
|
|
198
199
|
else:
|
|
199
|
-
xmippSrc = f'
|
|
200
|
+
xmippSrc = f'xmipp3-{version._binVersion}'
|
|
200
201
|
installCommands = [
|
|
201
202
|
(f'cd .. && rm -rf {xmippSrc} && '
|
|
202
|
-
f'git clone {XMIPP_GIT_URL} {xmippSrc} && '
|
|
203
|
+
f'git clone {XMIPP_GIT_URL} -b {version._binVersion} {xmippSrc} && '
|
|
203
204
|
f'cd {xmippSrc} && '
|
|
204
|
-
f'git checkout {version._binTagVersion} && '
|
|
205
205
|
f'./xmipp --production True ', COMPILE_TARGETS)
|
|
206
206
|
]
|
|
207
207
|
env.addPackage(
|
|
208
|
-
'
|
|
208
|
+
'xmipp3', version=version._binVersion,
|
|
209
209
|
tar='void.tgz',
|
|
210
210
|
commands=installCommands,
|
|
211
211
|
neededProgs=['git', 'gcc', 'g++', 'cmake', 'make'],
|
|
@@ -225,7 +225,7 @@ class Plugin(pwem.Plugin):
|
|
|
225
225
|
|
|
226
226
|
isBundle = (os.path.isdir(os.path.join(bundleDir, 'src')) and
|
|
227
227
|
os.path.isfile(os.path.join(bundleDir, 'xmipp')))
|
|
228
|
-
|
|
228
|
+
print(f'pluginDir: {pluginDir}\n, bundleDir: {bundleDir}\n, isBundle: {isBundle}')
|
|
229
229
|
return bundleDir if isBundle else None
|
|
230
230
|
|
|
231
231
|
def getNvidiaDriverVersion(plugin):
|
xmipp3/constants.py
CHANGED
|
@@ -28,7 +28,7 @@ This modules contains constants related to Xmipp3 protocols
|
|
|
28
28
|
"""
|
|
29
29
|
|
|
30
30
|
# ------------------ Constants values --------------------------------------
|
|
31
|
-
XMIPP_GIT_URL = 'https://github.com/I2PC/
|
|
31
|
+
XMIPP_GIT_URL = 'https://github.com/I2PC/xmipp3.git'
|
|
32
32
|
XMIPP_URL = 'https://github.com/i2pc/scipion-em-xmipp'
|
|
33
33
|
XMIPP_HOME = 'XMIPP_HOME'
|
|
34
34
|
NMA_HOME = 'NMA_HOME'
|
|
File without changes
|
|
File without changes
|
|
@@ -227,3 +227,137 @@ class TestOFAlignment2(TestXmippBase):
|
|
|
227
227
|
"been created.")
|
|
228
228
|
|
|
229
229
|
|
|
230
|
+
class TestExtractMovieParticles(BaseTest):
|
|
231
|
+
@classmethod
|
|
232
|
+
def setData(cls):
|
|
233
|
+
cls.ds = DataSet.getDataSet('movies')
|
|
234
|
+
|
|
235
|
+
@classmethod
|
|
236
|
+
def runImportMovies(cls, pattern, **kwargs):
|
|
237
|
+
""" Run an Import micrograph protocol. """
|
|
238
|
+
# We have two options: passe the SamplingRate or
|
|
239
|
+
# the ScannedPixelSize + microscope magnification
|
|
240
|
+
params = {'samplingRate': 1.14,
|
|
241
|
+
'voltage': 300,
|
|
242
|
+
'sphericalAberration': 2.7,
|
|
243
|
+
'magnification': 50000,
|
|
244
|
+
'scannedPixelSize': None,
|
|
245
|
+
'filesPattern': pattern
|
|
246
|
+
}
|
|
247
|
+
if 'samplingRate' not in kwargs:
|
|
248
|
+
del params['samplingRate']
|
|
249
|
+
params['samplingRateMode'] = 0
|
|
250
|
+
else:
|
|
251
|
+
params['samplingRateMode'] = 1
|
|
252
|
+
|
|
253
|
+
params.update(kwargs)
|
|
254
|
+
|
|
255
|
+
protImport = cls.newProtocol(ProtImportMovies, **params)
|
|
256
|
+
cls.launchProtocol(protImport)
|
|
257
|
+
return protImport
|
|
258
|
+
|
|
259
|
+
@classmethod
|
|
260
|
+
def setUpClass(cls):
|
|
261
|
+
setupTestProject(cls)
|
|
262
|
+
cls.setData()
|
|
263
|
+
cls.protImport1 = cls.runImportMovies(
|
|
264
|
+
cls.ds.getFile('qbeta/qbeta.mrc'),
|
|
265
|
+
magnification=50000)
|
|
266
|
+
cls.protImport2 = cls.runImportMovies(cls.ds.getFile('cct/cct_1.em'),
|
|
267
|
+
magnification=61000)
|
|
268
|
+
|
|
269
|
+
# def _checkMicrographs(self, protocol, goldDimensions):
|
|
270
|
+
# self.assertIsNotNone(getattr(protocol, 'outputMicrographs', None),
|
|
271
|
+
# "Output SetOfMicrographs were not created.")
|
|
272
|
+
# mic = protocol.outputMicrographs[1]
|
|
273
|
+
# x, y, _ = mic.getDim()
|
|
274
|
+
# dims = (x, y)
|
|
275
|
+
# msgError = "The dimensions must be %s and it is %s"
|
|
276
|
+
# self.assertEqual(goldDimensions, dims,
|
|
277
|
+
# msgError % (goldDimensions, dims))
|
|
278
|
+
#
|
|
279
|
+
def _checkAlignment(self, movie, goldRange, goldRoi):
|
|
280
|
+
alignment = movie.getAlignment()
|
|
281
|
+
range = alignment.getRange()
|
|
282
|
+
msgRange = "Alignment range must be %s %s and it is %s (%s)"
|
|
283
|
+
self.assertEqual(goldRange, range,
|
|
284
|
+
msgRange % (
|
|
285
|
+
goldRange, range, type(goldRange), type(range)))
|
|
286
|
+
roi = alignment.getRoi()
|
|
287
|
+
msgRoi = "Alignment ROI must be %s (%s) and it is %s (%s)"
|
|
288
|
+
self.assertEqual(goldRoi, roi,
|
|
289
|
+
msgRoi % (goldRoi, roi, type(goldRoi), type(roi)))
|
|
290
|
+
|
|
291
|
+
def test_qbeta(self):
|
|
292
|
+
movAliProt = self.newProtocol(XmippProtFlexAlign,
|
|
293
|
+
alignFrame0=2, alignFrameN=6,
|
|
294
|
+
doSaveAveMic=True)
|
|
295
|
+
movAliProt.inputMovies.set(self.protImport1.outputMovies)
|
|
296
|
+
self.launchProtocol(movAliProt)
|
|
297
|
+
|
|
298
|
+
self._checkAlignment(movAliProt.outputMovies[1],
|
|
299
|
+
(2, 6), [0, 0, 0, 0])
|
|
300
|
+
|
|
301
|
+
importPick = self.newProtocol(ProtImportCoordinates,
|
|
302
|
+
importFrom=ProtImportCoordinates.IMPORT_FROM_XMIPP,
|
|
303
|
+
filesPath=self.ds.getFile('qbeta/'),
|
|
304
|
+
filesPattern='*.pos', boxSize=320,
|
|
305
|
+
invertX=False,
|
|
306
|
+
invertY=False
|
|
307
|
+
)
|
|
308
|
+
importPick.inputMicrographs.set(movAliProt.outputMicrographs)
|
|
309
|
+
importPick.setObjLabel('import coords from xmipp ')
|
|
310
|
+
self.launchProtocol(importPick)
|
|
311
|
+
|
|
312
|
+
protExtract = self.newProtocol(XmippProtExtractMovieParticles,
|
|
313
|
+
boxSize=320, frame0=2, frameN=6,
|
|
314
|
+
applyAlignment=True, doInvert=True)
|
|
315
|
+
protExtract.inputMovies.set(movAliProt.outputMovies)
|
|
316
|
+
protExtract.inputCoordinates.set(importPick.outputCoordinates)
|
|
317
|
+
protExtract.setObjLabel('extract with alignment')
|
|
318
|
+
self.launchProtocol(protExtract)
|
|
319
|
+
|
|
320
|
+
self.assertIsNotNone(getattr(protExtract, 'outputParticles', None),
|
|
321
|
+
"Output SetOfMovieParticles were not created.")
|
|
322
|
+
|
|
323
|
+
size = protExtract.outputParticles.getSize()
|
|
324
|
+
self.assertEqual(size, 135, 'Number of particles must be 135 and its '
|
|
325
|
+
'%d' % size)
|
|
326
|
+
|
|
327
|
+
def test_cct(self):
|
|
328
|
+
movAliProt = self.newProtocol(XmippProtFlexAlign,
|
|
329
|
+
alignFrame0=2, alignFrameN=6,
|
|
330
|
+
doSaveAveMic=True)
|
|
331
|
+
movAliProt.inputMovies.set(self.protImport2.outputMovies)
|
|
332
|
+
self.launchProtocol(movAliProt)
|
|
333
|
+
|
|
334
|
+
self._checkAlignment(movAliProt.outputMovies[1],
|
|
335
|
+
(2, 6), [0, 0, 0, 0])
|
|
336
|
+
|
|
337
|
+
importPick = self.newProtocol(ProtImportCoordinates,
|
|
338
|
+
importFrom=ProtImportCoordinates.IMPORT_FROM_XMIPP,
|
|
339
|
+
filesPath=self.ds.getFile('cct/'),
|
|
340
|
+
filesPattern='*.pos', boxSize=320,
|
|
341
|
+
invertX=False,
|
|
342
|
+
invertY=False
|
|
343
|
+
)
|
|
344
|
+
importPick.inputMicrographs.set(movAliProt.outputMicrographs)
|
|
345
|
+
importPick.setObjLabel('import coords from xmipp ')
|
|
346
|
+
self.launchProtocol(importPick)
|
|
347
|
+
|
|
348
|
+
protExtract = self.newProtocol(XmippProtExtractMovieParticles,
|
|
349
|
+
boxSize=320, frame0=3, frameN=6,
|
|
350
|
+
applyAlignment=False, doInvert=True)
|
|
351
|
+
protExtract.inputMovies.set(movAliProt.outputMovies)
|
|
352
|
+
protExtract.inputCoordinates.set(importPick.outputCoordinates)
|
|
353
|
+
protExtract.setObjLabel('extract without alignment')
|
|
354
|
+
self.launchProtocol(protExtract)
|
|
355
|
+
|
|
356
|
+
self.assertIsNotNone(getattr(protExtract, 'outputParticles', None),
|
|
357
|
+
"Output SetOfMovieParticles were not created.")
|
|
358
|
+
|
|
359
|
+
size = protExtract.outputParticles.getSize()
|
|
360
|
+
self.assertEqual(size, 88, 'Number of particles must be 135 and its '
|
|
361
|
+
'%d' % size)
|
|
362
|
+
|
|
363
|
+
|
xmipp3/logParser.py
ADDED
|
@@ -0,0 +1,53 @@
|
|
|
1
|
+
# **************************************************************************
|
|
2
|
+
# *
|
|
3
|
+
# * Authors: Alberto Garcia Mena (alberto.garcia@cnb.csic.es)
|
|
4
|
+
# *
|
|
5
|
+
# * Unidad de Bioinformatica of Centro Nacional de Biotecnologia , CSIC
|
|
6
|
+
# *
|
|
7
|
+
# * This program is free software; you can redistribute it and/or modify
|
|
8
|
+
# * it under the terms of the GNU General Public License as published by
|
|
9
|
+
# * the Free Software Foundation; either version 2 of the License, or
|
|
10
|
+
# * (at your option) any later version.
|
|
11
|
+
# *
|
|
12
|
+
# * This program is distributed in the hope that it will be useful,
|
|
13
|
+
# * but WITHOUT ANY WARRANTY; without even the implied warranty of
|
|
14
|
+
# * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
|
15
|
+
# * GNU General Public License for more details.
|
|
16
|
+
# *
|
|
17
|
+
# * You should have received a copy of the GNU General Public License
|
|
18
|
+
# * along with this program; if not, write to the Free Software
|
|
19
|
+
# * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
|
|
20
|
+
# * 02111-1307 USA
|
|
21
|
+
# *
|
|
22
|
+
# * All comments concerning this program package may be sent to the
|
|
23
|
+
# * e-mail address 'scipion@cnb.csic.es'
|
|
24
|
+
# *
|
|
25
|
+
# **************************************************************************
|
|
26
|
+
|
|
27
|
+
'''
|
|
28
|
+
Script to collect all failled attempts from aspecific release of Xmipp and return a json with just the logs reported
|
|
29
|
+
Requires a json generated on https://xmipp.i2pc.es/api/attempts/filters/?user__userId=&xmipp__branch=v3.25.06.0-Rhea&returnCode=&returnCode_not=0 (get-> json save)
|
|
30
|
+
After this scxript, ask any IA:
|
|
31
|
+
ChatGPT Question: This is a JSON file with the logs of the installation failures of Xmipp. Can you make a summary of the most common errors?
|
|
32
|
+
Ommit the Matlab errors and warnings, report the percent of each kind of error
|
|
33
|
+
'''
|
|
34
|
+
|
|
35
|
+
import json
|
|
36
|
+
import random
|
|
37
|
+
|
|
38
|
+
jsonpath = '/home/agarcia/Downloads/Rhea.json'
|
|
39
|
+
jsonGenerated = '/home/agarcia/Downloads/RheaJustLogs.json'
|
|
40
|
+
with open(jsonpath, "r") as f:
|
|
41
|
+
data = json.load(f)
|
|
42
|
+
|
|
43
|
+
# data is now a list of dicts
|
|
44
|
+
print(f"Number of entries: {len(data)}")
|
|
45
|
+
|
|
46
|
+
logs = [entry["logTail"] for entry in data if "logTail" in entry]
|
|
47
|
+
|
|
48
|
+
# pick a random subset of 100 entries
|
|
49
|
+
subset = random.sample(logs, min(400, len(logs)))
|
|
50
|
+
|
|
51
|
+
# write to new JSON file
|
|
52
|
+
with open(jsonGenerated, "w") as f:
|
|
53
|
+
json.dump(subset, f, indent=4, ensure_ascii=False)
|
xmipp3/protocols/__init__.py
CHANGED
|
@@ -52,13 +52,13 @@ from .protocol_create_gallery import XmippProtCreateGallery
|
|
|
52
52
|
from .protocol_ctf_consensus import XmippProtCTFConsensus
|
|
53
53
|
from .protocol_ctf_micrographs import XmippProtCTFMicrographs
|
|
54
54
|
from .protocol_ctf_correct_wiener2d import XmippProtCTFCorrectWiener2D
|
|
55
|
+
from .protocol_ctf_correct_phase import XmippProtCTFCorrectPhase2D
|
|
55
56
|
from .protocol_consensus_classes import XmippProtConsensusClasses
|
|
56
57
|
from .protocol_denoise_particles import XmippProtDenoiseParticles
|
|
57
58
|
from .protocol_deep_micrograph_screen import XmippProtDeepMicrographScreen
|
|
58
59
|
from .protocol_eliminate_empty_images import (XmippProtEliminateEmptyParticles,
|
|
59
60
|
XmippProtEliminateEmptyClasses)
|
|
60
61
|
from .protocol_extract_particles import XmippProtExtractParticles
|
|
61
|
-
from .protocol_extract_particles_movies import XmippProtExtractMovieParticles
|
|
62
62
|
from .protocol_extract_particles_pairs import XmippProtExtractParticlesPairs
|
|
63
63
|
from .protocol_extract_asymmetric_unit import XmippProtExtractUnit
|
|
64
64
|
from .protocol_helical_parameters import XmippProtHelicalParameters
|