diff --git a/olex2/Olex2Linux64.zip b/olex2/Olex2Linux64.zip new file mode 100644 index 0000000..4bf4f7d Binary files /dev/null and b/olex2/Olex2Linux64.zip differ diff --git a/olex2/README.md b/olex2/README.md new file mode 100644 index 0000000..b36af2d --- /dev/null +++ b/olex2/README.md @@ -0,0 +1,25 @@ +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/2.0.0 +``` + +Step 3: go into olex2 directory, update config.yaml to add newest release version and build module with that release name (e.g. below is for 1.5) + +``` +cd olex2 +vi files/config.yaml +./build 1.5 +``` + +Step 4: confirm that the module loads as expected diff --git a/olex2/build b/olex2/build new file mode 100644 index 0000000..8553ea2 --- /dev/null +++ b/olex2/build @@ -0,0 +1,15 @@ +#!/usr/bin/env modbuild + + +pbuild::prep() { :; } + +pbuild::configure() { :; } + +pbuild::compile() { :; } + +pbuild::install() { + #wget --no-check-certificate https://xds.mr.mpg.de/XDS-gfortran_Linux_x86_64.tar.gz + mkdir -p "${PREFIX}/bin" + cd "${PREFIX}/bin" + unzip "${BUILDBLOCK_DIR}/Olex2Linux64.zip" +} diff --git a/olex2/files/config.yaml b/olex2/files/config.yaml new file mode 100644 index 0000000..834b761 --- /dev/null +++ b/olex2/files/config.yaml @@ -0,0 +1,11 @@ +--- +format: 1 +olex2: + defaults: + group: MX + overlay: base + relstage: stable + versions: + 1.5: + config: + relstage: stable diff --git a/olex2/modulefile b/olex2/modulefile new file mode 100644 index 0000000..54771e4 --- /dev/null +++ b/olex2/modulefile @@ -0,0 +1,12 @@ +#%Pmodule + +module-whatis "OlexSys Ltd is a scientific software company providing State of the Art Crystallographic Software as well as the best Laboratory Chemicals Management there is." +module-url "https://www.olexsys.org/categories/installation/" +module-license "Olex2 is completely free to use for anyone. There is no catch here – whether you are in industry, academia or a student, it’s free!" +module-maintainer "MX Data " + +module-help " +Olex2 is open source – all our code is available for you to look at, check and – hopefully! +" + +setenv Olex2 $PREFIX/bin