schluenz/calipsoplus:crystfel
$ singularity pull shub://schluenz/calipsoplus:crystfel
Singularity Recipe
Bootstrap: shub
From: singularityhub/centos
#centos:7
%runscript
echo "test"
%help
Singularity Container for the CrystFEL package.
# add appdefs for various commands!
%apprun mosflm
exec /usr/local/crystfel/bin/mosflm
%apprun indexamajig
exec /usr/local/crystfel/bin/indexamajig
%apprun hdfsee
exec /usr/local/crystfel/bin/hdfsee
%labels
Version 0.7.0
Packager Calipso+
Author Calipso+
%environment
export CINCL=/usr/local/crystfel/include
export CLIBD=/usr/local/crystfel/data
export CCP4_SCR=/tmp
export PATH=/usr/local/crystfel/bin:$PATH
%post
yum install https://dl.fedoraproject.org/pub/epel/epel-release-latest-7.noarch.rpm -y 2>&1 | grep -v "already installed and latest version"
yum install -y gcc gcc-gfortran libstdc++ GConf2 gtk2 libXtst curl hdf5 hdf5-devel libstdc++-devel libstdc++-static libgcc gtk2-devel libpng-devel ncurses-devel fftw-devel cairo-gobject-devel pango-devel gtk-doc gsl-devel bzip2 make cmake gcc gfortran autoconf automake tar unzip 2>&1 | grep -v "already installed and latest version"
#
# install everything in /usr/local
#
mkdir -p /usr/local/src
pushd /usr/local
#
# Crystfel itself
#
mkdir -p /usr/local/crystfel/bin
export cv=0.7.0
curl -L http://www.desy.de/~twhite/crystfel/crystfel-$cv.tar.gz | gzip -dc | tar -xv -C /usr/local
pushd /usr/local/crystfel-$cv
./configure --prefix=/usr/local/crystfel
make
make install
popd
rm -rf /usr/local/crystfel-$cv
#
# MOSFLM
#
# v7.2.2 has problems. revert back to mosflm 7.2.1!
#curl -s -L http://www.desy.de/~schluenz/crystfel/mosflm.tgz | gzip -dc | tar -xv -C /usr/local/crystfel/bin/
curl -s -L http://www.desy.de/~schluenz/crystfel/mosflm-7.2.1.tgz | gzip -dc | tar -xv -C /usr/local/crystfel/bin/
ln -sf /usr/local/crystfel/bin/mosflm-linux-64-noX11 /usr/local/crystfel/bin/mosflm
ln -sf /usr/local/crystfel/bin/mosflm-linux-64-noX11 /usr/local/crystfel/bin/ipmosflm
#
# aux files
#
curl -s -L http://www.desy.de/~schluenz/crystfel/default.def -o /usr/local/crystfel/include/default.def
curl -s -L http://www.desy.de/~schluenz/crystfel/environ.def -o /usr/local/crystfel/include/environ.def
curl -s -L http://www.desy.de/~schluenz/crystfel/clibd.tgz | gzip -dc | tar -xv -C /usr/local/crystfel/
#
# Bind DIRs
#
mkdir -p /datadir /procdir
#
# Clean up
#
rm -rf /usr/local/src
yum remove \*-devel -y
Collection
- Name: schluenz/calipsoplus
- License: None
View on Datalad
Metrics
key | value |
---|---|
id | /containers/schluenz-calipsoplus-crystfel |
collection name | schluenz/calipsoplus |
branch | master |
tag | crystfel |
commit | 03cbf8d91e9ba5b90c3c155f86975e5acfb31d3c |
version (container hash) | 5a74d8aa674c69aac2256f03162732d8 |
build date | 2018-10-11T09:24:02.696Z |
size (MB) | 1152 |
size (bytes) | 320958495 |
SIF | Download URL (please use pull with shub://) |
Datalad URL | View on Datalad |
Singularity Recipe | Singularity Recipe on Datalad |
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