duan_jandClaude Fable 5
c3c38856b3
Main README: clone/SSH/branching quickstart with full /das paths, --tmpdir/--distdir as part of the standard build command (do not fill /var/tmp or $HOME) with cleanup for defaults, tips deduplicated against module READMEs, old-system references removed, resource links and tutorial acknowledgements added. Module READMEs: purge outdated recipes repo-wide — Pmodules/1.1.20 and 2.0.0 plus ./build replaced by modbuild/2.1.3 invocations; the cctbx unbound-variable fix moved from the main README into phenix and DIALS READMEs where it belongs. Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
47 lines
1.4 KiB
Markdown
47 lines
1.4 KiB
Markdown
# crystfel
|
|
|
|
Data processing for serial (femtosecond) crystallography at FELs and
|
|
synchrotrons: indexamajig, partialator, process_hkl, cell_explorer,
|
|
the CrystFEL GUI and friends.
|
|
|
|
- Upstream: https://www.desy.de/~twhite/crystfel/
|
|
- License: GPLv3
|
|
|
|
## How it is built
|
|
|
|
Source tarball from https://desy.de/~twhite/crystfel/ (sha256-verified),
|
|
built with meson per upstream INSTALL.md:
|
|
`meson setup build --prefix=$PREFIX && meson compile -C build && meson install -C build`.
|
|
|
|
Upstream warns: do NOT have any conda environment active while building.
|
|
Build-host prerequisites (meson, ninja, gcc, and the C libraries: hdf5,
|
|
gsl, and optionally cairo/gdk-pixbuf/gtk for the GUI, fftw, zmq) must be
|
|
available on the Ra build node -- add `build_requires:` entries in
|
|
`files/config.yaml` if matching Ra modules are needed.
|
|
|
|
Loading the module puts `$PREFIX/bin` on `PATH`.
|
|
|
|
## Building on Ra
|
|
|
|
```sh
|
|
module use unstable && module load modbuild/2.1.3
|
|
cd crystfel
|
|
modbuild build 0.13.0
|
|
module use MX unstable && module load crystfel/0.13.0 && indexamajig --version
|
|
```
|
|
|
|
## Verifying the install
|
|
|
|
```sh
|
|
module use MX unstable && module load crystfel/0.13.0
|
|
which indexamajig
|
|
indexamajig --version
|
|
cell_explorer # GUI check, needs X
|
|
```
|
|
|
|
## Adding a new version
|
|
|
|
Add the version under `versions:` and its tarball sha256 under `shasums:`
|
|
in `files/config.yaml`, then on a Ra login node:
|
|
`modbuild build <version>` (modbuild/2.1.3).
|