- Aug 27, 2024
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Xavier Robin authored
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- Jul 04, 2024
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Studer Gabriel authored
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- Feb 14, 2024
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Xavier Robin authored
This enables tests that depend on the compound lib. Squashed commit of the following: commit b5bbb445 Author: Xavier Robin <xavier.robin@unibas.ch> Date: Wed Feb 14 15:45:21 2024 +0100 Revert "CI: test a CI failure" This reverts commit 494222f9. commit 494222f9 Author: Xavier Robin <xavier.robin@unibas.ch> Date: Wed Feb 14 15:40:47 2024 +0100 CI: test a CI failure This worfklow is expected to fail with an error in test_ligand_scoring.py_run. If it fails it means the compound lib is properly setup. commit 7d06d517 Author: Xavier Robin <xavier.robin@unibas.ch> Date: Wed Feb 14 15:27:45 2024 +0100 CI: download compounds after first build commit 89edc43d Author: Xavier Robin <xavier.robin@unibas.ch> Date: Wed Feb 14 15:18:25 2024 +0100 CI: use make as documented in the wiki commit 4f94f46d Author: Xavier Robin <xavier.robin@unibas.ch> Date: Wed Feb 14 15:03:45 2024 +0100 CI: try to download and build a compound lib commit 5d16d160 Author: Xavier Robin <xavier.robin@unibas.ch> Date: Wed Feb 14 14:55:55 2024 +0100 CI: try to link the compound lib differently commit 1e9803eb Author: Xavier Robin <xavier.robin@unibas.ch> Date: Wed Feb 14 14:31:07 2024 +0100 CI: try to use the group compound lib This is likely to fail if we don't have the right mounts...
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
This is likely to fail if we don't have the right mounts...
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- Nov 28, 2023
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Xavier Robin authored
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Xavier Robin authored
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Xavier Robin authored
This updates the module versions to match the versions we currently use for the OST module on sciCORE.
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- Aug 08, 2023
- Jan 23, 2023
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Xavier Robin authored
Loading networkX module is hopefully enough
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- Nov 08, 2020
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Studer Gabriel authored
You might have to adapt CMake flags when building OpenStructure to variables specified here: https://cmake.org/cmake/help/latest/module/FindPython.html
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- Apr 17, 2020
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Studer Gabriel authored
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- Feb 14, 2020
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Bienchen authored
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- Feb 12, 2020
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Bienchen authored
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- Feb 07, 2020
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Bienchen authored
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- Dec 02, 2019
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Studer Gabriel authored
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Studer Gabriel authored
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- May 16, 2019
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Gerardo Tauriello authored
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- Jan 10, 2019
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Studer Gabriel authored
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- Jul 10, 2018
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Studer Gabriel authored
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Studer Gabriel authored
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- Mar 17, 2017
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Bienchen authored
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- Mar 15, 2017
- Mar 14, 2017
- Mar 13, 2017