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add netmhcpan/4.1b

Merged David Benaben requested to merge netmhcpan into master
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Bootstrap: docker
From: centos:7
%labels
Author IFB
Version 5.0+singularity0
%files
/src/netmhcpan/4.1b/netMHCpan-4.1b.Linux.tar.gz /opt/
/src/netmhcpan/4.1b/data.tar.gz /opt/
%post
yum -y install tar gzip tcsh
cd /opt/
tar -zvxf netMHCpan-4.1b.Linux.tar.gz
mv data.tar.gz netMHCpan-4.1/
cd netMHCpan-4.1
tar -xvf data.tar.gz
sed -i -e 's|^setenv.*NMHOME.*/net/sund-nas.win.dtu.dk.*|setenv\tNMHOME\t/opt/netMHCpan-4.1|' netMHCpan
cp netMHCpan /usr/local/bin/
cp netMHCpan.1 /usr/local/share/man/man5/
cd /opt
rm -rf netMHCpan-4.1/data.tar.gz
rm -rf netMHCpan-4.1b.Linux.tar.gz
%runscript
echo "DTU Health Tech NetMHCpan is dedicated to Academic usage and requires a license agreement: https://services.healthtech.dtu.dk/services/NetMHCpan-4.1/9-Downloads.php#"
exec "$@"
%test
netMHCpan -h
cp -r /opt/netMHCpan-4.1/test /tmp/test
cd /tmp/test
netMHCpan -p test.pep > test.pep.myout
netMHCpan test.fsa > test.fsa.myout
netMHCpan -hlaseq B0702.fsa -p test.pep > test.pep_userMHC.myout
netMHCpan -p test.pep -BA > test.pep_BA.myout
netMHCpan -p test.pep -BA -xls -a HLA-A01:01,HLA-A02:01 -xlsfile my_NetMHCpan_out.xls
diff test.pep.out test.pep.myout
diff test.fsa.out test.fsa.myout
diff test.pep_userMHC.out test.pep_userMHC.myout
diff test.pep_BA.out test.pep_BA.myout
diff NetMHCpan_out.xls my_NetMHCpan_out.xls
rm -rf /tmp/test
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