ccsb-scripps / AutoDock-GPU

AutoDock for GPUs and other accelerators
https://ccsb.scripps.edu/autodock
GNU General Public License v2.0
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Astex Test files not found #177

Closed sisco0 closed 2 years ago

sisco0 commented 2 years ago

Describe the bug The Makefiles for CUDA and OpenCL reference ./input_tsri/search-set-astex/$(ASTEX_PDB)/protein.maps.fld for the Astex test. These paths are not found in the current repository so these tests have been disabled in https://github.com/ccsb-scripps/AutoDock-GPU/pull/174 in https://github.com/ccsb-scripps/AutoDock-GPU/pull/174/commits/cfd0a2d360f26ee964fe512ad7a8ff8df69e32c0.

To Reproduce Review the following lines of code for checking out the issue: https://github.com/ccsb-scripps/AutoDock-GPU/blob/7b7d5ed516f870611a93b14e14c6b64023eccb14/Makefile.Cuda#L235-L243 https://github.com/ccsb-scripps/AutoDock-GPU/blob/7b7d5ed516f870611a93b14e14c6b64023eccb14/Makefile.OpenCL#L303-L311

Expected behavior The input files should be present in the repository somehow.

Information to help narrow down the bug

atillack commented 2 years ago

@sisco0 Yes, those tests were internal tests during earlier stages of development and are going to be taken out of the Makefiles eventually.

sisco0 commented 2 years ago

Thank you for the clarification.