add xds/20240724 #14
25
xds/README.md
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25
xds/README.md
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XDS
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Step 1: login with your -adm account
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```
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[smith_k@ra-l-005 xds]$ kinit smith_k-adm
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[smith_k@ra-l-005 xds]$ aklog
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```
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Step 2: load the latest Pmodules package
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```
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module use unstable
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module load Pmodules/1.1.20
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```
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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)
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```
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cd xds
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vi files/config.yaml
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./build 20240724
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```
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Step 4: confirm that the module loads as expected
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15
xds/build
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15
xds/build
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#!/usr/bin/env modbuild
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pbuild::prep() { :; }
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pbuild::configure() { :; }
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pbuild::compile() { :; }
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pbuild::install() {
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wget --no-check-certificate https://xds.mr.mpg.de/XDS-INTEL64_Linux_x86_64.tar.gz
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mkdir -p "${PREFIX}/bin"
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cd "${PREFIX}/bin"
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tar -xf "${BUILDBLOCK_DIR}/XDS-INTEL64_Linux_x86_64.tar.gz" --strip-components=1
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}
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9
xds/files/config.yaml
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9
xds/files/config.yaml
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---
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format: 1
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xds:
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defaults:
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group: MX
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overlay: base
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relstage: stable
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versions:
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20240724:
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12
xds/modulefile
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12
xds/modulefile
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#%Pmodule
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module-whatis "X-ray Detector Software for processing single-crystal monochromatic diffraction data recorded by the rotation method"
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module-url "http://xds.mpimf-heidelberg.mpg.de/"
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module-license "XDS is free of charge for non-commercial applications"
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module-maintainer "MX Data <mx-software@psi.ch>"
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module-help "
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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.
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"
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setenv XDS $PREFIX/bin
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