Opened 8 months ago
Last modified 8 months ago
#16867 assigned defect
ISOLDE not finding OpenMM 8.0
Reported by: | Owned by: | Greg Couch | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Tool Shed | Version: | |
Keywords: | Cc: | Tristan Croll, chimerax-programmers | |
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-15.3-arm64-arm-64bit ChimeraX Version: 1.10.dev202502120650 (2025-02-12 06:50:33 UTC) Description Replace this text with list of actions that caused this problem to occur Log: Startup Messages --- note | available bundle cache has not been initialized yet UCSF ChimeraX version: 1.10.dev202502120650 (2025-02-12) © 2016-2025 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open /Users/fernandobastidanavajas/Downloads/1xz4.pdb format pdb 1xz4.pdb title: Intersubunit interactions associated with TYR42Α stabilize the quaternary-T tetramer but are not major quaternary constraints In deoxyhemoglobin: ALPHAY42A deoxyhemoglobin No-salt [more info...] Chain information for 1xz4.pdb #1 --- Chain | Description | UniProt A C | hemoglobin α chain | HBA_HUMAN 1-141 B D | hemoglobin β chain | HBB_HUMAN 1-146 Non-standard residues in 1xz4.pdb #1 --- HEM — protoporphyrin IX containing Fe (HEME) Traceback (most recent call last): File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/info.py", line 330, in _register_cmd api._api_caller.register_command(api, self, ci, logger) File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/__init__.py", line 1403, in register_command return cls._get_func(api, "register_command")(ci.name, logger) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site-packages/chimerax/isolde/__init__.py", line 170, in register_command cmd.register_isolde(logger) File "/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site-packages/chimerax/isolde/cmd/cmd.py", line 462, in register_isolde register_isolde_set() File "/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site-packages/chimerax/isolde/cmd/cmd.py", line 343, in register_isolde_set from chimerax.isolde.openmm.sim_param_mgr import fidelity_modes File "/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/openmm/__init__.py", line 12, in <module> from .openmm_interface import SimManager, SimHandler, OpenmmThreadHandler, \ File "/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 24, in <module> from chimerax.isolde._openmm_async import OpenmmThreadHandler as _OpenmmThreadHandlerBase ImportError: dlopen(/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/_openmm_async.cpython-311-darwin.so, 0x0002): Library not loaded: @rpath/libOpenMM.8.0.dylib Referenced from: <5B912790-F8B3-3EB5-8165-758BE6829F1E> /Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/_openmm_async.cpython-311-darwin.so Reason: tried: '/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/libOpenMM.8.0.dylib' (no such file), '/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/libOpenMM.8.0.dylib' (no such file), '/Applications/ChimeraX_Daily.app/Contents/lib/libOpenMM.8.0.dylib' (no such file), '/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/libOpenMM.8.0.dylib' (no such file), '/usr/lib/libOpenMM.8.0.dylib' (no such file, not in dyld cache) During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 2477, in lazy_register deferred.call() File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 2405, in call return self.proxy() ^^^^^^^^^^^^ File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/info.py", line 320, in cb s._register_cmd(ci, logger) File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/info.py", line 332, in _register_cmd raise ToolshedError( chimerax.core.toolshed.ToolshedError: register_command() failed for command isolde in bundle ChimeraX-ISOLDE: dlopen(/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/_openmm_async.cpython-311-darwin.so, 0x0002): Library not loaded: @rpath/libOpenMM.8.0.dylib Referenced from: <5B912790-F8B3-3EB5-8165-758BE6829F1E> /Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/_openmm_async.cpython-311-darwin.so Reason: tried: '/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/libOpenMM.8.0.dylib' (no such file), '/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/libOpenMM.8.0.dylib' (no such file), '/Applications/ChimeraX_Daily.app/Contents/lib/libOpenMM.8.0.dylib' (no such file), '/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/libOpenMM.8.0.dylib' (no such file), '/usr/lib/libOpenMM.8.0.dylib' (no such file, not in dyld cache) During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/toolbar/tool.py", line 215, in callback bundle_info.run_provider(session, name, session.toolbar, display_name=display_name) File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/info.py", line 397, in run_provider return api._api_caller.run_provider(api, session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/toolshed/__init__.py", line 1419, in run_provider return cls._get_func(api, "run_provider")(session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site-packages/chimerax/isolde/__init__.py", line 183, in run_provider toolbar_command(session, name) File "/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site-packages/chimerax/isolde/toolbar.py", line 19, in toolbar_command run(session, 'isolde start') File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/run.py", line 49, in run results = command.run(text, log=log, return_json=return_json) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 3141, in run self._find_command_name(final, used_aliases=_used_aliases) File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 2865, in _find_command_name what.lazy_register(cmd_name) File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 2479, in lazy_register raise RuntimeError( RuntimeError: delayed command registration for 'isolde' failed (register_command() failed for command isolde in bundle ChimeraX-ISOLDE: dlopen(/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/_openmm_async.cpython-311-darwin.so, 0x0002): Library not loaded: @rpath/libOpenMM.8.0.dylib Referenced from: <5B912790-F8B3-3EB5-8165-758BE6829F1E> /Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/_openmm_async.cpython-311-darwin.so Reason: tried: '/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/libOpenMM.8.0.dylib' (no such file), '/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/libOpenMM.8.0.dylib' (no such file), '/Applications/ChimeraX_Daily.app/Contents/lib/libOpenMM.8.0.dylib' (no such file), '/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/libOpenMM.8.0.dylib' (no such file), '/usr/lib/libOpenMM.8.0.dylib' (no such file, not in dyld cache)) RuntimeError: delayed command registration for 'isolde' failed (register_command() failed for command isolde in bundle ChimeraX-ISOLDE: dlopen(/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/_openmm_async.cpython-311-darwin.so, 0x0002): Library not loaded: @rpath/libOpenMM.8.0.dylib Referenced from: <5B912790-F8B3-3EB5-8165-758BE6829F1E> /Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/_openmm_async.cpython-311-darwin.so Reason: tried: '/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/libOpenMM.8.0.dylib' (no such file), '/Users/fernandobastidanavajas/Library/Application Support/ChimeraX/1.10/lib/python/site- packages/chimerax/isolde/libOpenMM.8.0.dylib' (no such file), '/Applications/ChimeraX_Daily.app/Contents/lib/libOpenMM.8.0.dylib' (no such file), '/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/libOpenMM.8.0.dylib' (no such file), '/usr/lib/libOpenMM.8.0.dylib' (no such file, not in dyld cache)) File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 2479, in lazy_register raise RuntimeError( See log for complete Python traceback. OpenGL version: 4.1 Metal - 89.3 OpenGL renderer: Apple M1 OpenGL vendor: Apple Python: 3.11.4 Locale: UTF-8 Qt version: PyQt6 6.8.1, Qt 6.8.2 Qt runtime version: 6.8.2 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Air Model Identifier: MacBookAir10,1 Model Number: MGN63Y/A Chip: Apple M1 Total Number of Cores: 8 (4 performance and 4 efficiency) Memory: 8 GB System Firmware Version: 11881.81.2 OS Loader Version: 11881.81.2 Software: System Software Overview: System Version: macOS 15.3 (24D60) Kernel Version: Darwin 24.3.0 Time since boot: 2 minutes, 9 seconds Graphics/Displays: Apple M1: Chipset Model: Apple M1 Type: GPU Bus: Built-In Total Number of Cores: 7 Vendor: Apple (0x106b) Metal Support: Metal 3 Displays: Color LCD: Display Type: Built-In Retina LCD Resolution: 2560 x 1600 Retina Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal Installed Packages: alabaster: 1.0.0 anyio: 4.8.0 appdirs: 1.4.4 appnope: 0.1.4 asttokens: 3.0.0 auditwheel: 6.2.0 autocommand: 2.2.2 babel: 2.17.0 backports.tarfile: 1.2.0 beautifulsoup4: 4.12.3 blockdiag: 3.0.0 blosc2: 3.0.0 build: 1.2.1 certifi: 2023.11.17 cftime: 1.6.4.post1 charset-normalizer: 3.4.1 ChimeraX-AddCharge: 1.5.18 ChimeraX-AddH: 2.2.6 ChimeraX-AlignmentAlgorithms: 2.0.2 ChimeraX-AlignmentHdrs: 3.6 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.19.1 ChimeraX-AlphaFold: 1.0.1 ChimeraX-AltlocExplorer: 1.1.2 ChimeraX-AmberInfo: 1.0 ChimeraX-Aniso: 1.0.1 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.60.5 ChimeraX-AtomicLibrary: 14.1.13 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.4 ChimeraX-BasicActions: 1.1.3 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 3.0.0 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.2 ChimeraX-BuildStructure: 2.13.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.4.0 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.4 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.4 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.3 ChimeraX-Clipper: 0.23.0 ChimeraX-ColorActions: 1.0.5 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.8 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.10.dev202502120650 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.4 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2.7 ChimeraX-DistMonitor: 1.4.2 ChimeraX-DockPrep: 1.1.3 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ESMFold: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.3 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.4.1 ChimeraX-Hbonds: 2.5 ChimeraX-Help: 1.3 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.3 ChimeraX-ISOLDE: 1.8.dev0 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-IUPAC: 1.0 ChimeraX-KVFinder: 1.5.1 ChimeraX-Label: 1.1.14 ChimeraX-ListInfo: 1.2.2 ChimeraX-Log: 1.2 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.9.1 ChimeraX-Map: 1.3 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0.1 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.2 ChimeraX-MatchMaker: 2.1.7 ChimeraX-MCopy: 1.0 ChimeraX-MDcrds: 2.7.2 ChimeraX-MedicalToolbar: 1.1 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.14.2 ChimeraX-MMTF: 2.2 ChimeraX-ModelArchive: 1.0 ChimeraX-Modeller: 1.5.18 ChimeraX-ModelPanel: 1.5 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0.3 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-MutationScores: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.2 ChimeraX-NMRSTAR: 1.0.2 ChimeraX-NRRD: 1.2 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.14.1 ChimeraX-OrthoPick: 1.0.1 ChimeraX-PDB: 2.7.7 ChimeraX-PDBBio: 1.0.1 ChimeraX-PDBLibrary: 1.0.4 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1.2 ChimeraX-ProfileGrids: 1.0.1 ChimeraX-PubChem: 2.2 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.6.3 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.3.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 4.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.3 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-Segmentations: 3.5.7 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.17 ChimeraX-Shape: 1.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.2.0 ChimeraX-ShowSequences: 1.0.3 ChimeraX-SideView: 1.0.1 ChimeraX-SimilarStructures: 1.0.1 ChimeraX-Smiles: 2.1.2 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.19.1 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.2.1 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.5.1 ChimeraX-TapeMeasure: 1.0 ChimeraX-TaskManager: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.2.3 ChimeraX-ToolshedUtils: 1.2.4 ChimeraX-Topography: 1.0 ChimeraX-ToQuest: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.43 ChimeraX-Umap: 1.0 ChimeraX-uniprot: 2.3.1 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.4.4 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-vrml: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.4 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.2.2 contourpy: 1.3.1 coverage: 7.6.12 cxservices: 1.2.3 cycler: 0.12.1 Cython: 3.0.10 debugpy: 1.8.12 decorator: 5.1.1 docutils: 0.21.2 executing: 2.2.0 filelock: 3.15.4 fonttools: 4.56.0 funcparserlib: 2.0.0a0 glfw: 2.8.0 grako: 3.16.5 h11: 0.14.0 h5py: 3.12.1 html2text: 2024.2.26 httpcore: 1.0.7 httpx: 0.28.1 idna: 3.10 ihm: 1.3 imagecodecs: 2024.6.1 imagesize: 1.4.1 importlib_metadata: 8.0.0 importlib_resources: 6.4.0 inflect: 7.3.1 iniconfig: 2.0.0 ipykernel: 6.29.5 ipython: 8.26.0 ipywidgets: 8.1.5 jaraco.context: 5.3.0 jaraco.functools: 4.0.1 jaraco.text: 3.12.1 jedi: 0.19.1 Jinja2: 3.1.5 jupyter_client: 8.6.2 jupyter_core: 5.7.2 jupyterlab_widgets: 3.0.13 kiwisolver: 1.4.8 line_profiler: 4.1.3 lxml: 5.2.2 lz4: 4.3.3 MarkupSafe: 3.0.2 matplotlib: 3.9.2 matplotlib-inline: 0.1.7 more-itertools: 10.3.0 msgpack: 1.0.8 ndindex: 1.9.2 nest-asyncio: 1.6.0 netCDF4: 1.6.5 networkx: 3.3 nibabel: 5.2.0 nptyping: 2.5.0 numexpr: 2.10.2 numpy: 1.26.4 OpenMM: 8.2.0 openvr: 1.26.701 ordered-set: 4.1.0 packaging: 23.2 packaging: 24.1 ParmEd: 4.2.2 parso: 0.8.4 pep517: 0.13.1 pexpect: 4.9.0 pickleshare: 0.7.5 pillow: 10.4.0 pip: 25.0.1 pkginfo: 1.11.1 platformdirs: 4.3.6 platformdirs: 4.2.2 pluggy: 1.5.0 prompt_toolkit: 3.0.50 psutil: 6.0.0 ptyprocess: 0.7.0 pure_eval: 0.2.3 py-cpuinfo: 9.0.0 pycollada: 0.8 pydicom: 2.4.4 pyelftools: 0.31 Pygments: 2.18.0 pynmrstar: 3.3.5 pynrrd: 1.0.0 PyOpenGL: 3.1.7 PyOpenGL-accelerate: 3.1.7 pyopenxr: 1.0.3401 pyparsing: 3.2.1 pyproject_hooks: 1.2.0 PyQt6-commercial: 6.8.1 PyQt6-Qt6: 6.8.2 PyQt6-WebEngine-commercial: 6.8.0 PyQt6-WebEngine-Qt6: 6.8.2 PyQt6_sip: 13.10.0 pytest: 8.3.4 pytest-cov: 6.0.0 python-dateutil: 2.9.0.post0 pytz: 2025.1 pyzmq: 26.2.1 qtconsole: 5.5.2 QtPy: 2.4.3 qtshim: 1.1 RandomWords: 0.4.0 requests: 2.32.3 scipy: 1.14.0 Send2Trash: 1.8.3 SEQCROW: 1.8.18 setuptools: 72.1.0 sfftk-rw: 0.8.1 six: 1.16.0 sniffio: 1.3.1 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.6 Sphinx: 8.1.3 sphinx-autodoc-typehints: 3.0.1 sphinxcontrib-applehelp: 2.0.0 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 2.0.0 sphinxcontrib-htmlhelp: 2.1.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 2.0.0 sphinxcontrib-serializinghtml: 2.0.0 stack-data: 0.6.3 superqt: 0.7.1 tables: 3.10.2 tcia_utils: 1.5.1 tifffile: 2024.7.24 tinyarray: 1.2.4 tomli: 2.0.1 tornado: 6.4.2 traitlets: 5.14.3 typeguard: 4.3.0 typing_extensions: 4.12.2 typing_extensions: 4.12.2 tzdata: 2025.1 urllib3: 2.3.0 wcwidth: 0.2.13 webcolors: 24.6.0 wheel: 0.45.1 wheel: 0.43.0 wheel-filename: 1.4.2 widgetsnbextension: 4.0.13 zipp: 3.19.2
Change History (2)
comment:1 by , 8 months ago
Cc: | added |
---|---|
Component: | Unassigned → Tool Shed |
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → ISOLDE not finding OpenMM 8.0 |
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Not sure how/why ISOLDE is getting installed into 1.10