cctbx_project
cctbx_project copied to clipboard
cctbx
Computational Crystallography Toolbox
``` $ conda create -p "some_🤔" $ ./bootstrap.py base --use-conda Performing actions: base Installing base packages using: python modules/cctbx_project/libtbx/auto_build/install_conda.py --builder=cctbx --install_conda removing .pyc files in /Users/nickd/dials/dist_1.14/modules, walk? True removed 1...
https://github.com/cctbx/cctbx_project/blob/e85a70581599585a10ff6e19e109dcc69a254e06/scitbx/array_family/boost_python/flex_double_matrix.cpp#L134 Pointed out by @ndevenish in passing but ... `exercise_packed_u_accessor();` in `wrap_flex_double_matrix`? While it has been there for 14 years surely some mistake?
CentOS Linux release 7.6.1810 (Core) Python 2.7.5 wget https://raw.githubusercontent.com/cctbx/cctbx_project/master/libtbx/auto_build/bootstrap.py python bootstrap.py ``` Installing cairo... log file is /home/classen/cctbx/base_tmp/cairo_install_log getting package cairo-1.14.4.tar.gz... downloading from http://cci.lbl.gov/cctbx_dependencies : 43.4 MB [0%.........20%.........40%.........60%.........80%.........100%] installing cairo-1.14.4.tar.gz......
``` C:\Users\gw56\Work\cctbx\build>python ..\cctbx_project\libtbx\configure.py libtbx Traceback (most recent call last): File "..\cctbx_project\libtbx\configure.py", line 34, in if not run(): File "..\cctbx_project\libtbx\configure.py", line 29, in run libtbx.env_config.cold_start(sys.argv) File "C:\Users\gw56\Work\cctbx\cctbx_project\libtbx\env_config.py", line 2608, in cold_start...
Mentioned in https://github.com/cctbx/cctbx_project/commit/6a8503a98b2e251be0b31806a0e5e20751b10055#commitcomment-32583542 that I'd had some problems using conda. Decided to post in a separate issue. I also had a quick poke over the weekend and noticed a few...
```xray.scattering_type_registry()``` behaves like a dictionary i.e. has ```has_key``` methods and is indexed by string keys but is not iterable so cannot ask if thing in reg. Since it looks like...
Which can be annoying when dealing with e.g. image data - also sizes are poorly defined so propose adding: - uint16 - uint32 And we could consider - int32
Hi, how to set the compiler toolchain? I'm following https://cctbx.github.io/installation.html to build on a mac 10.14.2. It fails on building openssl: ``` getting package openssl-1.0.2r.tar.gz... downloading from https://gitcdn.link/repo/dials/dependencies/master/ : 5223...
Hello! I have just installed FABLE and tried the the test36 suite with the attached error log. I understand that there is an issue expanding the TBXX_ASSERT macro I guess...
In 2014, the PDB designated SEC and PYL as standard amino acids and gave them the letters U and O, respectively. Nat made changes at the time but I think...
