scipion-em-xmipp 23.11.0.1__py3-none-any.whl → 24.12.2__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-23.11.0.1.dist-info → scipion_em_xmipp-24.12.2.dist-info}/METADATA +8 -7
- {scipion_em_xmipp-23.11.0.1.dist-info → scipion_em_xmipp-24.12.2.dist-info}/RECORD +73 -78
- {scipion_em_xmipp-23.11.0.1.dist-info → scipion_em_xmipp-24.12.2.dist-info}/WHEEL +1 -1
- xmipp3/__init__.py +109 -92
- xmipp3/checkProtocolsConf.py +117 -0
- xmipp3/constants.py +3 -0
- xmipp3/convert/convert.py +60 -34
- xmipp3/protocols/__init__.py +9 -9
- xmipp3/protocols/protocol_angular_graph_consistency.py +1 -1
- xmipp3/protocols/protocol_apply_tilt_to_ctf.py +114 -0
- xmipp3/protocols/protocol_cl2d.py +15 -9
- xmipp3/protocols/protocol_cl2d_clustering.py +303 -0
- xmipp3/protocols/protocol_classify_pca.py +468 -0
- xmipp3/protocols/protocol_classify_pca_streaming.py +495 -0
- xmipp3/protocols/protocol_compare_reprojections.py +428 -96
- xmipp3/protocols/protocol_convert_pdb.py +13 -5
- xmipp3/protocols/protocol_core_analysis.py +8 -9
- xmipp3/protocols/protocol_create_gallery.py +84 -12
- xmipp3/protocols/protocol_ctf_consensus.py +186 -273
- xmipp3/protocols/protocol_ctf_defocus_group.py +4 -4
- xmipp3/protocols/protocol_ctf_micrographs.py +13 -10
- xmipp3/protocols/protocol_deep_center.py +148 -0
- xmipp3/protocols/protocol_deep_center_predict.py +140 -0
- xmipp3/protocols/protocol_denoise_particles.py +5 -4
- xmipp3/protocols/protocol_extract_particles.py +10 -8
- xmipp3/protocols/protocol_flexalign.py +46 -47
- xmipp3/protocols/protocol_generate_reprojections.py +20 -16
- xmipp3/protocols/protocol_mics_defocus_balancer.py +341 -0
- xmipp3/protocols/protocol_movie_alignment_consensus.py +602 -0
- xmipp3/protocols/protocol_movie_dose_analysis.py +157 -96
- xmipp3/protocols/protocol_movie_gain.py +5 -1
- xmipp3/protocols/protocol_movie_max_shift.py +246 -178
- xmipp3/protocols/protocol_multireference_alignability.py +2 -6
- xmipp3/protocols/protocol_particle_pick_automatic.py +1 -1
- xmipp3/protocols/protocol_particle_pick_consensus.py +2 -1
- xmipp3/protocols/protocol_particle_pick_remove_duplicates.py +14 -4
- xmipp3/protocols/protocol_preprocess/protocol_process.py +5 -1
- xmipp3/protocols/protocol_projmatch/protocol_projmatch.py +3 -3
- xmipp3/protocols/protocol_reconstruct_fourier.py +76 -16
- xmipp3/protocols/protocol_reconstruct_highres.py +15 -2
- xmipp3/protocols/protocol_resolution_bfactor.py +24 -12
- xmipp3/protocols/protocol_resolution_deepres.py +3 -2
- xmipp3/protocols/protocol_screen_deepConsensus.py +2 -2
- xmipp3/protocols/protocol_screen_particles.py +6 -3
- xmipp3/protocols/protocol_simulate_ctf.py +24 -2
- xmipp3/protocols/protocol_subtract_projection.py +89 -28
- xmipp3/protocols/protocol_tilt_analysis.py +130 -201
- xmipp3/protocols/protocol_trigger_data.py +22 -12
- xmipp3/protocols/protocol_validate_fscq.py +130 -47
- xmipp3/protocols/protocol_validate_nontilt.py +0 -3
- xmipp3/protocols/protocol_volume_adjust_sub.py +0 -4
- xmipp3/protocols/protocol_volume_local_adjust.py +4 -0
- xmipp3/protocols/protocol_volume_local_sharpening.py +34 -24
- xmipp3/protocols.conf +143 -114
- xmipp3/tests/test_convert_xmipp.py +41 -41
- xmipp3/tests/test_protocols_deepcenter_predict.py +66 -0
- xmipp3/tests/test_protocols_xmipp_2d.py +203 -32
- xmipp3/tests/test_protocols_xmipp_3d.py +63 -755
- xmipp3/tests/test_protocols_xmipp_mics.py +45 -6
- xmipp3/tests/test_protocols_xmipp_movies.py +126 -198
- xmipp3/version.py +38 -0
- xmipp3/viewers/__init__.py +4 -4
- xmipp3/viewers/viewer.py +32 -35
- xmipp3/viewers/viewer_apply_tilt_to_ctf.py +81 -0
- xmipp3/viewers/viewer_cl2d_clustering.py +131 -0
- xmipp3/viewers/viewer_extract_asymmetric_unit.py +0 -2
- xmipp3/viewers/viewer_movie_alignment.py +43 -6
- xmipp3/viewers/viewer_projmatch.py +1 -1
- xmipp3/viewers/viewer_structure_map.py +1 -1
- xmipp3/viewers/viewer_validate_fscq.py +41 -52
- xmipp3/protocols/protocol_angular_resolution_alignment.py +0 -204
- xmipp3/protocols/protocol_deep_center_assignment.py +0 -261
- xmipp3/protocols/protocol_deep_denoising.py +0 -425
- xmipp3/protocols/protocol_metaprotocol_create_subset.py +0 -96
- xmipp3/protocols/protocol_metaprotocol_golden_highres.py +0 -663
- xmipp3/protocols/protocol_movie_opticalflow.py +0 -415
- xmipp3/protocols/protocol_solid_angles.py +0 -632
- xmipp3/protocols/protocol_split_volume.py +0 -112
- xmipp3/tests/test_protocol_deep_center_assignment.py +0 -132
- xmipp3/tests/test_protocol_deep_denoising.py +0 -64
- xmipp3/tests/test_protocols_angular_resolution_alignment.py +0 -88
- xmipp3/tests/test_protocols_metaprotocol_golden_highres.py +0 -96
- xmipp3/tests/test_protocols_mixed_movies.py +0 -149
- xmipp3/tests/test_protocols_solid_angles.py +0 -161
- xmipp3/viewers/viewer_angular_resolution_alignment.py +0 -148
- xmipp3/viewers/viewer_metaprotocol_golden_highres.py +0 -140
- xmipp3/viewers/viewer_solid_angles.py +0 -91
- xmipp3/viewers/viewer_split_volume.py +0 -57
- {scipion_em_xmipp-23.11.0.1.dist-info → scipion_em_xmipp-24.12.2.dist-info}/LICENSE +0 -0
- {scipion_em_xmipp-23.11.0.1.dist-info → scipion_em_xmipp-24.12.2.dist-info}/entry_points.txt +0 -0
- {scipion_em_xmipp-23.11.0.1.dist-info → scipion_em_xmipp-24.12.2.dist-info}/top_level.txt +0 -0
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Metadata-Version: 2.1
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Name: scipion-em-xmipp
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Version:
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Summary: Plugin to use Xmipp programs within the Scipion framework (see https://
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Version: 24.12.2
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Summary: Plugin to use Xmipp programs within the Scipion framework (see https://xmipp.i2pc.es/).
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Home-page: https://github.com/i2pc/scipion-em-xmipp
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Author: I2PC
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Author-email: xmipp@cnb.csic.es
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License: UNKNOWN
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Keywords: scipion cryoem imageprocessing scipion-3.0
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Platform: UNKNOWN
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Requires-Dist: scipion-pyworkflow>=3.0.31
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[](https://github.com/I2PC/scipion-em-xmipp/actions/workflows/build.yml)
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xmipp3/__init__.py,sha256
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xmipp3/__init__.py,sha256=3845iUcBXhJdilaAZh_oB76sDuzfmVms4TiFzVWDpV4,12226
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xmipp3/base.py,sha256=pFu7FZjm4WeqWbLZJwbmGH3-2YixAIpKyWMFvVrsBYc,21220
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xmipp3/bibtex.py,sha256=YZjuuB_9RC4QOOy5r86cRX3ze2EWz43iGzIDQvtu5HQ,28310
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xmipp3/
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xmipp3/checkProtocolsConf.py,sha256=eJhADp1lv3Mdwe5yYdsVJcVzjelUCqoLHs43XSGzrDo,4428
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xmipp3/constants.py,sha256=SjO3ViST8YrLIn49QqymQNrNwzM1wzG9VOupvnyM-_U,3953
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xmipp3/programs.py,sha256=yrMD0EHEq5j_ODCeINbaCp4CEqSgkmioan1O1mAgPY0,11968
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xmipp3/protocols.conf,sha256=
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xmipp3/protocols.conf,sha256=6zuA9QdZ_HVaPc0mxqn3oGWJVQtdCVZIJeceMYw4J6I,15148
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xmipp3/utils.py,sha256=JKuEdR40rn6pdm0puwsgzItbNnrFL4sa7pBymVtRzLM,9125
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xmipp3/version.py,sha256=ZhxJ-ScXQm8YwCeHUy6dEH_NToDwkMQr5jx6moVa13s,1807
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xmipp3/wizards.py,sha256=kS2ctLuy46m-8XPWrd2705V9Gxbhf4UBa4vKJ8eqius,20343
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xmipp3/xmipp_logo.png,sha256=ggrFNUy5UEBjvKfNvu0T14Kzolnhc-ij9AQ734R27MY,84496
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xmipp3/convert/__init__.py,sha256=y231wRpfDySMgyjLi6xYuO3hTG1NZBNnMRT7dNnYqu8,1211
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xmipp3/convert/convert.py,sha256=
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xmipp3/convert/convert.py,sha256=_8wbBzv714l2rfQyj1pvjXP9VPLs7gvk_fiFJYzmctU,63217
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xmipp3/convert/io_coordinates.py,sha256=ZUKEbL7DjJ0jDVJzs2Nnc-sX7QYuAyGSponhP6WYMDI,1963
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xmipp3/protocols/__init__.py,sha256=
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xmipp3/protocols/protocol_align_volume_and_particles.py,sha256=g5dpZfq_iggeTFt2-3iGvc8zFQY_5EaiBg0gycEKPLw,10735
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xmipp3/protocols/protocol_analyze_local_ctf.py,sha256=O1_xWXuKDRGvhhd-BQ1DRMKti_KDqNN_kALzUhvN3DQ,7446
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xmipp3/protocols/protocol_angular_graph_consistency.py,sha256=
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xmipp3/protocols/protocol_angular_resolution_alignment.py,sha256=EsKm1PfGkkpnzoKuhZqM-e1_99_XVtIBOIGhlgg45qM,8521
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xmipp3/protocols/protocol_apply_alignment.py,sha256=TL89xGiYtPN5mlEhU4R-6yLEzjxIyx2TStiTyXdkvKw,5958
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xmipp3/protocols/protocol_apply_tilt_to_ctf.py,sha256=WiWBip-lU4ApdDbilQbckSf_ueXmNhcfSKAUxhH1EeY,5287
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xmipp3/protocols/protocol_apply_transformation_matrix.py,sha256=TJJ7IQK_FM_-3488iBCH6JQSnBLBhPg78mYXN2E2PAk,4891
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xmipp3/protocols/protocol_apply_zernike3d.py,sha256=aHb-6oFCLIZV49OXlft_VQgmcO9vd65-g-KFPK-Arbw,10506
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xmipp3/protocols/protocol_assignment_tilt_pair.py,sha256=4bjhPZbffm2jIZV4LLbrw-_fhNbzZVPf1UmzbqhpK_o,10332
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xmipp3/protocols/protocol_break_symmetry.py,sha256=OZvOOsyFMX-pdk69rYo546AxvRZtRFs0GmuT9Vkv6mc,6183
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xmipp3/protocols/protocol_center_particles.py,sha256=2ug42YlvD7PidOLC1EL6U4b-WFm9i6UF8ggn_ksC14E,11159
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xmipp3/protocols/protocol_extract_particles_pairs.py,sha256=Cg0I_hptAErRXSrtDZnSrUDMx_P2NFgrFV34pUcQFoM,29349
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xmipp3/tests/
|
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xmipp3/tests/
|
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xmipp3/tests/
|
|
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|
-
xmipp3/tests/test_protocols_xmipp_mics.py,sha256=NV0ffSbX0W5f_6fL9ueOPUL1mVEA1caJYeB8KUKX-gQ,59879
|
|
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|
+
xmipp3/tests/test_protocols_xmipp_2d.py,sha256=MVN0CQQil2cIxX4ju5rsk0Qv8grsZ-_Sln9ugPKvWTo,83556
|
|
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|
+
xmipp3/tests/test_protocols_xmipp_3d.py,sha256=88LUfNyl1OxYdPF9tocn3K_vm3NQ9_9R1grbQhiSMq4,113442
|
|
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|
+
xmipp3/tests/test_protocols_xmipp_mics.py,sha256=Bf-heIcImLR74DcYvS5_6xrwVu84OwQ_TYP3feenDAQ,61478
|
|
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|
xmipp3/tests/test_protocols_xmipp_movie_resize.py,sha256=XR1gYYZeDhNOkDkZhimPDbqcYwss5z-zbhJ73ZM0a5g,6494
|
|
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|
-
xmipp3/tests/test_protocols_xmipp_movies.py,sha256=
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|
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xmipp3/tests/test_protocols_xmipp_movies.py,sha256=Nl8zfskXUTgfag7I0zrJ3iP44YMv9jiUX0cp5lTBuy4,34504
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|
xmipp3/tests/test_protocols_zernike3d.py,sha256=bTXCK4wBKSJZK1KCZXec3j8y1mVLoBxE5bF3AGbOsNs,18132
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-
xmipp3/viewers/__init__.py,sha256=
|
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|
+
xmipp3/viewers/__init__.py,sha256=UHKwvYfhP4_FeyOPihwvGEbKcrorMOHS8AXeW3Yl6KQ,3669
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xmipp3/viewers/plotter.py,sha256=YHDqAs7_rbv8cXMmwmg42YeeBnesdX44awrppX3VJw0,3875
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-
xmipp3/viewers/viewer.py,sha256=
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xmipp3/viewers/viewer.py,sha256=X68yRXVraMmzmoHaccntfuZBVXvnx49hfCsXyBLmlH4,19233
|
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xmipp3/viewers/viewer_analyze_local_ctf.py,sha256=-Oa7flu05KxP8M6AlZRaWKCRqZljRz23Z6Ncz1qDHhw,4866
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-
xmipp3/viewers/
|
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|
+
xmipp3/viewers/viewer_apply_tilt_to_ctf.py,sha256=GdKDSI1FjcgvKxOrO6BOWPaLrYpMYh2AtXxB3BEK7So,3263
|
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|
xmipp3/viewers/viewer_cl2d.py,sha256=7uBU6zYOkhYqjMNWFUPFbMOPsqWja9DaTssp_ju6AXw,8764
|
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172
|
+
xmipp3/viewers/viewer_cl2d_clustering.py,sha256=PKJbAyi_meEPgSEtOFE9vYusz0WLGaphDGeqee9BbpE,5768
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|
xmipp3/viewers/viewer_consensus_classes.py,sha256=En4EW8tYDS0NLmGoM9IBz_KM9PoBtDo-AqfVxmUDFeE,5434
|
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xmipp3/viewers/viewer_ctf_consensus.py,sha256=gosd9D2iuTUHgdlQlHIGS_HBybThR1S8SBfgM096e_8,7669
|
|
177
175
|
xmipp3/viewers/viewer_deepEMHancer.py,sha256=ok5e2NfPeK8Joa0Y7Wp0GQG00Pk7AAG19xOE42A1l6c,5741
|
|
@@ -179,14 +177,13 @@ xmipp3/viewers/viewer_deep_consensus.py,sha256=ohwXSMb-C4EZh7fNw3JVfxYxTzCVzyDLE
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179
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|
xmipp3/viewers/viewer_deep_micrograph_cleaner.py,sha256=gFHOPirTM6-i9bHxCs9Fbkh4GQ9fxc7FINDNib0jkdA,5694
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178
|
xmipp3/viewers/viewer_dose_analysis.py,sha256=9u5WNvJfa3sTOT1enigF5zZYtyzQM2j5uTG6Dn8ybEY,4949
|
|
181
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|
xmipp3/viewers/viewer_eliminate_empty_images.py,sha256=LMDYe4iql1kFOESBbwyClzNezizYKv9a8LHtvlPCboM,7278
|
|
182
|
-
xmipp3/viewers/viewer_extract_asymmetric_unit.py,sha256=
|
|
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|
+
xmipp3/viewers/viewer_extract_asymmetric_unit.py,sha256=fGYqUfrsPLzFDj4UxuVQe8b2AN_I64cruaWBjhnLkU8,7092
|
|
183
181
|
xmipp3/viewers/viewer_local_sharpening.py,sha256=_j_4RZISQjWzrBFmsI88DrNqxbT3Ng1AJRmo0MfdCCk,4408
|
|
184
|
-
xmipp3/viewers/viewer_metaprotocol_golden_highres.py,sha256=PwfPMwTo4z_4Fzc-fBV7VLf4RswvMwoF9vlAqd1o9uI,5373
|
|
185
182
|
xmipp3/viewers/viewer_ml2d.py,sha256=XL1NL8mg-W8TC0fHemD-eR9mHxgUMBnF2d9gwJagC7s,8451
|
|
186
|
-
xmipp3/viewers/viewer_movie_alignment.py,sha256=
|
|
183
|
+
xmipp3/viewers/viewer_movie_alignment.py,sha256=h2mDRK_hBNN97E5nqvVkTYtgCl8b7MNz181uZMb97qs,6763
|
|
187
184
|
xmipp3/viewers/viewer_normalize_strain.py,sha256=L54CZvxaU9ezu223jgvOSTBn4yYWs2x9q87_3vvHi9k,2804
|
|
188
185
|
xmipp3/viewers/viewer_pdb_deform_zernike3d.py,sha256=g5-ntcOt7841rFFGPRb6NK-wQ2FfbBz2P1E980uENZo,4653
|
|
189
|
-
xmipp3/viewers/viewer_projmatch.py,sha256=
|
|
186
|
+
xmipp3/viewers/viewer_projmatch.py,sha256=j9_1S8hrTUjRL-YeIYdLvxvsTTBjrJR9TyRQN3gG3JY,37619
|
|
190
187
|
xmipp3/viewers/viewer_ransac.py,sha256=hfjj3ySF2hlSIicw6WTezZhau9aaQJNGKYR6nP8VYrE,2445
|
|
191
188
|
xmipp3/viewers/viewer_reconstruct_highres.py,sha256=bDcxUyGU4wlRFdBnfbhMiCLRB8b_C8LqaKkXgX0lg00,13184
|
|
192
189
|
xmipp3/viewers/viewer_resolution3d.py,sha256=AfKbCxLzuJG3pJQLPxNgK86WRSWXrgRSEDNjzbM5Y6E,14152
|
|
@@ -195,21 +192,19 @@ xmipp3/viewers/viewer_resolution_deepres.py,sha256=M1X9wW7V4yU0BaMxezFNSHhfd4Rpj
|
|
|
195
192
|
xmipp3/viewers/viewer_resolution_directional.py,sha256=SOnybW40HuMglekNnD-YGF2ZPMXLZuGf-AwmvRUNg98,20322
|
|
196
193
|
xmipp3/viewers/viewer_resolution_fso.py,sha256=WIbsYmTKnuJ-wVLAgMoXHmrMMkrb6ukfboyz2NHDUtc,15874
|
|
197
194
|
xmipp3/viewers/viewer_resolution_monogenic_signal.py,sha256=GCrWKLb9IFVcGY8zKzCNnXWy15T_jPPhM2uZjJ0un8c,11088
|
|
198
|
-
xmipp3/viewers/
|
|
199
|
-
xmipp3/viewers/viewer_split_volume.py,sha256=4rmH0ixpNS1eR_FLgmD5lgo4IUmqTPNST7_-wLMHkj4,2146
|
|
200
|
-
xmipp3/viewers/viewer_structure_map.py,sha256=qCD-kxulB7nR_Oiha9AkkHwOfHqcuPpkW4aqIjVHxLo,14534
|
|
195
|
+
xmipp3/viewers/viewer_structure_map.py,sha256=7lqS1Qjo3jB45NgYpbOY-RiEQ0VU9gKo2JevuJeP3h0,14535
|
|
201
196
|
xmipp3/viewers/viewer_subtract_projection.py,sha256=UPm_G_CwTUgtgzVMtNCF3NFgnfwxJSy3HmaKYW2WECE,2860
|
|
202
197
|
xmipp3/viewers/viewer_swarm.py,sha256=liXSpVMNqO0YzcexF6hyl8n8V6j2t7yB8D42dHWIazk,2590
|
|
203
|
-
xmipp3/viewers/viewer_validate_fscq.py,sha256=
|
|
198
|
+
xmipp3/viewers/viewer_validate_fscq.py,sha256=bqb_va-BjTn1LpuyOroCPX3QeL104Kh2TX9faOBTH-E,18209
|
|
204
199
|
xmipp3/viewers/viewer_validate_nontilt.py,sha256=LLmMMXaKg7PbhhRCLAwHpd9wSPjBUSG602Agq_diHck,4078
|
|
205
200
|
xmipp3/viewers/viewer_validate_overfitting.py,sha256=8G7E8Bqs3Rt6IjGMliqNaa5pdvZ8U0QETrvH6GVQpWk,5854
|
|
206
201
|
xmipp3/viewers/viewer_volume_consensus.py,sha256=S7YViiZ9w5xAGhfyj1RnDypVWsQ7PKhHD8WIUAVqpJI,1914
|
|
207
202
|
xmipp3/viewers/viewer_volume_deform_zernike3d.py,sha256=BOeI7go5w2RRwGjV9kPm2U76tVJRaHww1Pl0zUCXQRw,8903
|
|
208
203
|
xmipp3/viewers/viewer_volume_strain.py,sha256=4LQUrceVMB6OaAfTpFXdn3vGv-sXQzUIPDEPELYfasY,2378
|
|
209
204
|
xmipp3/viewers/viewer_volume_subtraction.py,sha256=3RbwJQIaCcdzldrFODLgWlFbCips1450RDVzngLRRoU,5121
|
|
210
|
-
scipion_em_xmipp-
|
|
211
|
-
scipion_em_xmipp-
|
|
212
|
-
scipion_em_xmipp-
|
|
213
|
-
scipion_em_xmipp-
|
|
214
|
-
scipion_em_xmipp-
|
|
215
|
-
scipion_em_xmipp-
|
|
205
|
+
scipion_em_xmipp-24.12.2.dist-info/LICENSE,sha256=jOtLnuWt7d5Hsx6XXB2QxzrSe2sWWh3NgMfFRetluQM,35147
|
|
206
|
+
scipion_em_xmipp-24.12.2.dist-info/METADATA,sha256=Wc7YocK5Bm0u0NNYEU7dMWzX72VqY8h54Nl8BZQMYfQ,1636
|
|
207
|
+
scipion_em_xmipp-24.12.2.dist-info/WHEEL,sha256=tZoeGjtWxWRfdplE7E3d45VPlLNQnvbKiYnx7gwAy8A,92
|
|
208
|
+
scipion_em_xmipp-24.12.2.dist-info/entry_points.txt,sha256=uAfbaIdLcZ7JWL0tWzQVwsVEyyOZb1WcBX4YZMqRrIk,37
|
|
209
|
+
scipion_em_xmipp-24.12.2.dist-info/top_level.txt,sha256=qnLFoZzwKticb33xgeSAJv3P7nD2nHMTFKYzxAorOOQ,7
|
|
210
|
+
scipion_em_xmipp-24.12.2.dist-info/RECORD,,
|
xmipp3/__init__.py
CHANGED
|
@@ -27,36 +27,59 @@
|
|
|
27
27
|
# **************************************************************************
|
|
28
28
|
|
|
29
29
|
import json
|
|
30
|
-
import subprocess
|
|
31
30
|
from datetime import datetime
|
|
32
|
-
|
|
33
|
-
from pyworkflow import Config
|
|
34
31
|
import pwem
|
|
32
|
+
from pyworkflow import Config
|
|
35
33
|
import pyworkflow.utils as pwutils
|
|
36
|
-
|
|
34
|
+
from scipion.install.funcs import CommandDef
|
|
35
|
+
from scipion import __version__ as scipionAppVersion
|
|
36
|
+
from packaging.version import Version
|
|
37
37
|
from .base import *
|
|
38
|
-
from .
|
|
38
|
+
from .version import *
|
|
39
|
+
from .constants import XMIPP_HOME, XMIPP_URL, XMIPP_DLTK_NAME, XMIPP_CUDA_BIN, XMIPP_CUDA_LIB, XMIPP_GIT_URL
|
|
39
40
|
|
|
40
|
-
type_of_version = 'release' #'devel'
|
|
41
|
-
_logo = "xmipp_logo" + ("" if type_of_version == 'release' else '_devel') + '.png'
|
|
42
41
|
|
|
43
42
|
_references = ['delaRosaTrevin2013', 'Sorzano2013', 'Strelak2021']
|
|
44
|
-
|
|
45
|
-
__version__ = _currentBinVersion[2:] + ".1" # Set this to ".0" on each xmipp binary release, otherwise increase it --> ".1", ".2", ...
|
|
46
|
-
|
|
43
|
+
_currentDepVersion = '1.0'
|
|
47
44
|
# Requirement version variables
|
|
48
45
|
NVIDIA_DRIVERS_MINIMUM_VERSION = 450
|
|
49
46
|
|
|
47
|
+
type_of_version = version.type_of_version
|
|
48
|
+
_logo = version._logo
|
|
49
|
+
_binTagVersion = version._binTagVersion
|
|
50
|
+
_pluginTagVersion= version._pluginTagVersion
|
|
51
|
+
_currentDepVersion = version._currentDepVersion
|
|
52
|
+
__version__ = version.__version__
|
|
53
|
+
|
|
54
|
+
|
|
50
55
|
class Plugin(pwem.Plugin):
|
|
51
56
|
_homeVar = XMIPP_HOME
|
|
52
57
|
_pathVars = [XMIPP_HOME]
|
|
53
58
|
_supportedVersions = []
|
|
54
59
|
_url = XMIPP_URL
|
|
55
60
|
_condaRootPath = None
|
|
56
|
-
|
|
61
|
+
# Refressing the plugin
|
|
62
|
+
# Inspects the call stack to find 'installPipModule' and sets 'self._plugin' to None.
|
|
63
|
+
# Uses CPython's internal API 'PyFrame_LocalsToFast' to sync changes.
|
|
64
|
+
# Risky and CPython-specific; use only if redesign is not possible.
|
|
65
|
+
try:
|
|
66
|
+
import inspect
|
|
67
|
+
import ctypes
|
|
68
|
+
for frameInfo in inspect.stack():
|
|
69
|
+
if frameInfo.function == "installPipModule":
|
|
70
|
+
frame = frameInfo[0]
|
|
71
|
+
frame.f_locals['self']._plugin = None
|
|
72
|
+
ctypes.pythonapi.PyFrame_LocalsToFast(
|
|
73
|
+
ctypes.py_object(frame),
|
|
74
|
+
ctypes.c_int(1))
|
|
75
|
+
except Exception as e:
|
|
76
|
+
print(e)
|
|
77
|
+
|
|
57
78
|
@classmethod
|
|
58
79
|
def _defineVariables(cls):
|
|
59
|
-
cls.
|
|
80
|
+
cls._defineEmVar(XMIPP_HOME, pwem.Config.XMIPP_HOME)
|
|
81
|
+
cls._defineVar(XMIPP_CUDA_BIN, pwem.Config.CUDA_BIN)
|
|
82
|
+
cls._defineVar(XMIPP_CUDA_LIB, pwem.Config.CUDA_LIB)
|
|
60
83
|
|
|
61
84
|
@classmethod
|
|
62
85
|
def getEnviron(cls, xmippFirst=True):
|
|
@@ -65,8 +88,8 @@ class Plugin(pwem.Plugin):
|
|
|
65
88
|
pos = pwutils.Environ.BEGIN if xmippFirst else pwutils.Environ.END
|
|
66
89
|
|
|
67
90
|
environ.update({
|
|
68
|
-
'PATH':
|
|
69
|
-
'LD_LIBRARY_PATH':
|
|
91
|
+
'PATH': cls.getVar(XMIPP_CUDA_BIN),
|
|
92
|
+
'LD_LIBRARY_PATH': cls.getVar(XMIPP_CUDA_LIB)
|
|
70
93
|
}, position=pwutils.Environ.END)
|
|
71
94
|
|
|
72
95
|
if os.path.isfile(getXmippPath('xmippEnv.json')):
|
|
@@ -117,94 +140,88 @@ class Plugin(pwem.Plugin):
|
|
|
117
140
|
Scipion-defined software can be used as dependencies
|
|
118
141
|
by using its name as string.
|
|
119
142
|
"""
|
|
143
|
+
|
|
144
|
+
# Determine if we are on a development
|
|
145
|
+
bundleDir = cls.__getBundleDirectory()
|
|
146
|
+
develMode = bundleDir is not None
|
|
147
|
+
|
|
148
|
+
COMPILE_TARGETS = [
|
|
149
|
+
'dist/bin/xmipp_image_header',
|
|
150
|
+
'dist/xmipp.bashrc'
|
|
151
|
+
]
|
|
152
|
+
|
|
153
|
+
# When changing dependencies, increment _currentDepVersion
|
|
154
|
+
CONDA_DEPENDENCIES = [
|
|
155
|
+
'cmake>=3.17',
|
|
156
|
+
'hdf5>=1.18',
|
|
157
|
+
'sqlite>=3',
|
|
158
|
+
'fftw>=3',
|
|
159
|
+
'mpich-mpicxx',
|
|
160
|
+
'c-compiler',
|
|
161
|
+
'cxx-compiler',
|
|
162
|
+
'make',
|
|
163
|
+
'openjdk',
|
|
164
|
+
'libtiff',
|
|
165
|
+
'libjpeg-turbo'
|
|
166
|
+
]
|
|
167
|
+
|
|
168
|
+
if os.environ['CONDA_PREFIX'] is not None: # TODO replace with pyworkflow method when available.
|
|
169
|
+
commands = CommandDef('conda install -c conda-forge ' + ' '.join(CONDA_DEPENDENCIES))
|
|
170
|
+
env.addPackage(
|
|
171
|
+
'xmippDep', version=_currentDepVersion,
|
|
172
|
+
tar='void.tgz',
|
|
173
|
+
commands=commands.getCommands(),
|
|
174
|
+
neededProgs=['conda'],
|
|
175
|
+
default=False
|
|
176
|
+
)
|
|
177
|
+
|
|
178
|
+
if develMode:
|
|
179
|
+
env.addPackage(
|
|
180
|
+
'xmippDev',
|
|
181
|
+
tar='void.tgz',
|
|
182
|
+
commands=[(f'cd {bundleDir} && ./xmipp', COMPILE_TARGETS)],
|
|
183
|
+
neededProgs=['git', 'gcc', 'g++', 'cmake', 'make'],
|
|
184
|
+
updateCuda=True,
|
|
185
|
+
default=False
|
|
186
|
+
)
|
|
187
|
+
|
|
188
|
+
xmippSrc = f'xmippSrc-{version._binTagVersion}'
|
|
189
|
+
installCommands = [
|
|
190
|
+
(f'cd .. && rm -rf {xmippSrc} && '
|
|
191
|
+
f'git clone {XMIPP_GIT_URL} {xmippSrc} && '
|
|
192
|
+
f'cd {xmippSrc} && '
|
|
193
|
+
f'git checkout {version._binTagVersion} && '
|
|
194
|
+
f'./xmipp --production True ', COMPILE_TARGETS)
|
|
195
|
+
]
|
|
196
|
+
env.addPackage(
|
|
197
|
+
'xmippSrc', version=version._binTagVersion,
|
|
198
|
+
tar='void.tgz',
|
|
199
|
+
commands=installCommands,
|
|
200
|
+
neededProgs=['git', 'gcc', 'g++', 'cmake', 'make'],
|
|
201
|
+
updateCuda=True,
|
|
202
|
+
default=not develMode
|
|
203
|
+
)
|
|
204
|
+
|
|
205
|
+
## EXTRA PACKAGES ##
|
|
206
|
+
installDeepLearningToolkit(cls, env)
|
|
120
207
|
|
|
121
|
-
|
|
122
|
-
|
|
123
|
-
|
|
124
|
-
# Installation vars for commands formating
|
|
125
|
-
verToken = getXmippPath('v%s' % _currentBinVersion)
|
|
126
|
-
confToken = getXmippPath("xmipp.conf")
|
|
127
|
-
installVars = {'installedToken': "installation_finished",
|
|
128
|
-
'bindingsToken': "bindings_linked",
|
|
129
|
-
'verToken': verToken,
|
|
130
|
-
'nProcessors': env.getProcessors(),
|
|
131
|
-
'xmippHome': getXmippPath(),
|
|
132
|
-
'bindingsSrc': getXmippPath('bindings', 'python'),
|
|
133
|
-
'bindingsDst': Config.getBindingsFolder(),
|
|
134
|
-
'xmippLib': getXmippPath('lib', 'libXmipp.so'),
|
|
135
|
-
'coreLib': getXmippPath('lib', 'libXmippCore.so'),
|
|
136
|
-
'libsDst': Config.getLibFolder(),
|
|
137
|
-
'confToken': confToken,
|
|
138
|
-
'strPlaceHolder': '%s', # to be replaced in the future
|
|
139
|
-
'currVersion': _currentBinVersion
|
|
140
|
-
}
|
|
141
|
-
|
|
142
|
-
## Installation commands (removing bindingsToken)
|
|
143
|
-
installCmd = ("cd {cwd} && {configCmd} && {compileCmd} N={nProcessors:d} && "
|
|
144
|
-
"ln -srfn build {xmippHome} && cd - && "
|
|
145
|
-
"touch {installedToken} && rm {bindingsToken} 2> /dev/null")
|
|
146
|
-
installTgt = [getXmippPath('bin', 'xmipp_reconstruct_significant'),
|
|
147
|
-
getXmippPath("lib/libXmippJNI.so"),
|
|
148
|
-
installVars['installedToken']]
|
|
149
|
-
|
|
150
|
-
## Linking bindings (removing installationToken)
|
|
151
|
-
bindingsAndLibsCmd = ("find {bindingsSrc} -maxdepth 1 -mindepth 1 "
|
|
152
|
-
r"! -name __pycache__ -exec ln -srfn {{}} {bindingsDst} \; && "
|
|
153
|
-
"ln -srfn {coreLib} {libsDst} && "
|
|
154
|
-
"touch {bindingsToken} && "
|
|
155
|
-
"rm {installedToken} 2> /dev/null")
|
|
156
|
-
bindingsAndLibsTgt = [os.path.join(Config.getBindingsFolder(), 'xmipp_base.py'),
|
|
157
|
-
os.path.join(Config.getBindingsFolder(), 'xmippLib.so'),
|
|
158
|
-
os.path.join(Config.getLibFolder(), 'libXmipp.so'),
|
|
159
|
-
installVars['bindingsToken']]
|
|
160
|
-
|
|
161
|
-
sourceTgt = [getXmippPath('xmipp.bashrc')] # Target for xmippSrc and xmippDev
|
|
162
|
-
## Allowing xmippDev if devel mode detected
|
|
208
|
+
@classmethod
|
|
209
|
+
def __getBundleDirectory(cls):
|
|
163
210
|
# plugin = scipion-em-xmipp <-- xmipp3 <-- __init__.py
|
|
164
211
|
pluginDir = os.path.dirname(os.path.dirname(os.path.abspath(__file__)))
|
|
165
212
|
# bundle = xmipp-bundle <- src <- scipion-em-xmipp
|
|
166
213
|
bundleDir = os.path.dirname(os.path.dirname(pluginDir))
|
|
167
214
|
|
|
168
|
-
|
|
169
|
-
|
|
170
|
-
|
|
171
|
-
|
|
172
|
-
|
|
173
|
-
env.addPackage('xmippDev', tar='void.tgz',
|
|
174
|
-
commands=[(installCmd.format(**installVars,
|
|
175
|
-
cwd=bundleDir,
|
|
176
|
-
configCmd='pwd',
|
|
177
|
-
compileCmd='./xmipp all'),
|
|
178
|
-
installTgt+sourceTgt),
|
|
179
|
-
(bindingsAndLibsCmd.format(**installVars),
|
|
180
|
-
bindingsAndLibsTgt)],
|
|
181
|
-
deps=xmippDeps, default=False)
|
|
182
|
-
|
|
183
|
-
avoidConfig = os.environ.get('XMIPP_NOCONFIG', 'False') == 'True'
|
|
184
|
-
alreadyCompiled = os.path.isfile(getXmippPath('v' + _currentBinVersion)) # compilation token (see the xmipp script)
|
|
185
|
-
configSrc = ('./xmipp check_config' if avoidConfig
|
|
186
|
-
else './xmipp config noAsk && ./xmipp check_config')
|
|
187
|
-
env.addPackage('xmippSrc', version=_currentBinVersion,
|
|
188
|
-
# adding 'v' before version to fix a package target (post-link)
|
|
189
|
-
tar='xmippSrc-v' + _currentBinVersion + '.tgz',
|
|
190
|
-
commands=[(installCmd.format(**installVars, cwd='.',
|
|
191
|
-
configCmd=configSrc,
|
|
192
|
-
compileCmd='./xmipp compileAndInstall'),
|
|
193
|
-
installTgt + sourceTgt),
|
|
194
|
-
(bindingsAndLibsCmd.format(**installVars),
|
|
195
|
-
bindingsAndLibsTgt)],
|
|
196
|
-
deps=xmippDeps, default=not (develMode or alreadyCompiled))
|
|
197
|
-
|
|
198
|
-
## EXTRA PACKAGES ##
|
|
199
|
-
installDeepLearningToolkit(cls, env)
|
|
200
|
-
|
|
201
|
-
|
|
215
|
+
isBundle = (os.path.isdir(os.path.join(bundleDir, 'src')) and
|
|
216
|
+
os.path.isfile(os.path.join(bundleDir, 'xmipp')))
|
|
217
|
+
|
|
218
|
+
return bundleDir if isBundle else None
|
|
219
|
+
|
|
202
220
|
def installDeepLearningToolkit(plugin, env):
|
|
203
221
|
|
|
204
222
|
preMsgs = []
|
|
205
223
|
cudaMsgs = []
|
|
206
224
|
nvidiaDriverVer = None
|
|
207
|
-
useGpu = False
|
|
208
225
|
if os.environ.get('CUDA', 'True') == 'True':
|
|
209
226
|
try:
|
|
210
227
|
nvidiaDriverVer = subprocess.Popen(["nvidia-smi",
|
|
@@ -221,7 +238,7 @@ def installDeepLearningToolkit(plugin, env):
|
|
|
221
238
|
f"To enable CUDA (drivers>{NVIDIA_DRIVERS_MINIMUM_VERSION} needed), "
|
|
222
239
|
"set CUDA=True in 'scipion.conf' file")
|
|
223
240
|
nvidiaDriverVer = None
|
|
224
|
-
except (ValueError, TypeError):
|
|
241
|
+
except (ValueError, TypeError, FileNotFoundError):
|
|
225
242
|
nvidiaDriverVer = None
|
|
226
243
|
preMsgs.append("Not nvidia driver found. Type: "
|
|
227
244
|
" nvidia-smi --query-gpu=driver_version --format=csv,noheader")
|