cctbx_project
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cctbx
Computational Crystallography Toolbox
Does cctbx/iotbx support multi-block CIF files? in particular, powder CIF files? We're doing [some development](https://github.com/COMCIFS/Powder_Dictionary) and a [question has arisen re deprecation](https://github.com/COMCIFS/Powder_Dictionary/issues/56) of some data tiems, and we trying to...
To hopefully save you some time digging this up: * https://github.com/cctbx/cctbx_project/blob/b6b8e3bb27e2a75a076155baa921e478fcb71c0d/libtbx/SConscript#L799 That's deprecated in Xcode 14. Solution: https://github.com/python/cpython/issues/97524
DIALS v3-11-2 refuses to install on my M1 Mac. v3-11-1 worked fine. The issue is in libtx so reporting here. In this version `os.uname()` here: https://github.com/cctbx/cctbx_project/blob/0caf7ea69b90f7fd3f6fa5374ed2aaf3c806fb58/libtbx/auto_build/installer_utils.py#L176 returns: ``` posix.uname_result(sysname='Darwin', nodename='xxx.xxx',...
This is just something I was playing with. There are two things to consider here: - Thoughts on modifying bootstrap default options by intercepting the kwargs passed to the Builder...
This includes two big additions to diffBragg and modeling * the use of a perfectly round RELP called gauss_star that eliminates issues where F_latt varies with symmetry operations * full...
I've created a failing unit test for new kokkos code in the cuda-context. If the test "libtbx.python cctbx_project/simtbx/tests/tst_memory_policy.py" can be made to work, the bug has been fixed. Background information:...
Hello! I follow the instructions in https://github.com/cctbx/cctbx_project to build a development version. But there are some errors that occur when I run the command `python bootstrap.py --use-conda`. I try it...
I was working on a custom `cctbx.xfel` worker and found myself `gather`ing + `count`ing objects multiple times. I realized that `mpi_helper` could just as well use a simple `count` method...
