add xds/20240724 #14

Merged
smith_k merged 1 commits from 6-module-file-for-xds into main 2024-07-30 15:40:11 +02:00
4 changed files with 61 additions and 0 deletions

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xds/README.md Normal file
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XDS
Step 1: login with your -adm account
```
[smith_k@ra-l-005 xds]$ kinit smith_k-adm
[smith_k@ra-l-005 xds]$ aklog
```
Step 2: load the latest Pmodules package
```
module use unstable
module load Pmodules/1.1.20
```
Step 3: go into xds directory, update config.yaml to add newest release version and build module with that release name (e.g. below is for 20240724)
```
cd xds
vi files/config.yaml
./build 20240724
```
Step 4: confirm that the module loads as expected

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xds/build Normal file
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#!/usr/bin/env modbuild
pbuild::prep() { :; }
pbuild::configure() { :; }
pbuild::compile() { :; }
pbuild::install() {
wget --no-check-certificate https://xds.mr.mpg.de/XDS-INTEL64_Linux_x86_64.tar.gz
mkdir -p "${PREFIX}/bin"
cd "${PREFIX}/bin"
tar -xf "${BUILDBLOCK_DIR}/XDS-INTEL64_Linux_x86_64.tar.gz" --strip-components=1
}

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xds/files/config.yaml Normal file
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---
format: 1
xds:
defaults:
group: MX
overlay: base
relstage: stable
versions:
20240724:

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#%Pmodule
module-whatis "X-ray Detector Software for processing single-crystal monochromatic diffraction data recorded by the rotation method"
module-url "http://xds.mpimf-heidelberg.mpg.de/"
module-license "XDS is free of charge for non-commercial applications"
module-maintainer "MX Data <mx-software@psi.ch>"
module-help "
XDS can process data images from CCD-, imaging-plate-, multiwire-, and pixel-detectors in a variety of formats as well as from multi-segment detectors assembled from several rectangular components in arbitrary arrangement.
"
setenv XDS $PREFIX/bin