Merge remote-tracking branch 'origin/build-crystfel'

crystfel/README.md

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+# 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/2.1.2
+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/2.1.2).

crystfel/build

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+#!/usr/bin/env modbuild
+
+# upstream INSTALL.md: meson setup build && meson compile && meson install.
+# default pbuild::prep downloads + sha-verifies + unpacks the tarball (urls/shasums
+# in files/config.yaml, strip_dirs:1 puts the sources at $SRC_DIR root).
+# need to install the latest meson > 0.60 at local/bin
+# could be pip3 install --user meson
+# cd lines can be deleted with compile_in_sourcetree being true
+pbuild::configure() {
+<<<<<<< Updated upstream
+<<<<<<< HEAD
+=======
+    cd "${SRC_DIR}"
+>>>>>>> fc35801 (use local meson, need to pip install meson > 0.60 at home folder)
+=======
+>>>>>>> Stashed changes
+    ~/.local/bin/meson setup build --prefix="${PREFIX}"
+}
+
+pbuild::compile() {
+<<<<<<< Updated upstream
+<<<<<<< HEAD
+=======
+    cd "${SRC_DIR}"
+>>>>>>> fc35801 (use local meson, need to pip install meson > 0.60 at home folder)
+=======
+>>>>>>> Stashed changes
+    ~/.local/bin/meson compile -C build
+}
+
+pbuild::install() {
+<<<<<<< Updated upstream
+<<<<<<< HEAD
+=======
+    cd "${SRC_DIR}"
+>>>>>>> fc35801 (use local meson, need to pip install meson > 0.60 at home folder)
+=======
+>>>>>>> Stashed changes
+    ~/.local/bin/meson install -C build
+}

crystfel/files/config.yaml

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+---
+format: 1
+crystfel:
+  defaults:
+    compile_in_sourcetree: true
+    group: MX
+    overlay: base
+    relstage: unstable
+    urls:
+      - url: https://desy.de/~twhite/crystfel/crystfel-${V_PKG}.tar.gz
+        strip_dirs: 1
+  shasums:
+    crystfel-0.13.0.tar.gz: e85cfb5bc9112a56939a72fedb5b76d148244e3af7a02d3c20ecc018eb1e6905
+  versions:
+    0.13.0:
+      config:
+        relstage: unstable

crystfel/modulefile

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+#%Module1.0
+
+module-whatis       "CrystFEL - data processing for serial femtosecond crystallography"
+module-url          "https://www.desy.de/~twhite/crystfel/"
+module-license      "GPLv3"
+module-maintainer   "MX Data <jiaxin.duan@psi.ch>"
+
+module-help     "
+CrystFEL: a suite of programs for processing (serial) crystallography
+data from free-electron lasers and synchrotrons: indexamajig, partialator,
+process_hkl, cell_explorer, the CrystFEL GUI and more.
+"
+
+prepend-path    PATH    $PREFIX/bin