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Add shiftx2 recipe
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mpharrigan committed Mar 12, 2016
1 parent c37fdbb commit 303b1c7
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3 changes: 3 additions & 0 deletions .gitignore
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# AUCTeX auto folder
/auto/

# vim
*.swp
10 changes: 10 additions & 0 deletions shiftx2/build.sh
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make
mkdir -p $PREFIX/share/ $PREFIX/bin
cp -r . $PREFIX/share/shiftx2
cat <<EOF > $PREFIX/bin/shiftx2.py
#!/usr/bin/env python
import sys
import os
os.environ['PYTHONPATH'] = '$PREFIX/share/shiftx2'
os.system(' '.join(['/usr/bin/python2', '$PREFIX/share/shiftx2/shiftx2.py'] + sys.argv[1:]))
EOF
32 changes: 32 additions & 0 deletions shiftx2/meta.yaml
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package:
name: shiftx2
version: "1.09A"

source:
fn: shiftx2-v109A-linux-20150821.tgz
url: http://www.shiftx2.ca/download/shiftx2-v109A-linux-20150821.tgz
md5: c425b4fd5b520b517f948ca18af2b19f

build:
number: 0
skip:
- [win]

requirements:
build:
- python
run:
- python

test:
commands:
- shiftx2.py -h

about:
home: http://www.shiftx2.ca/
license: All rights reserved
summary: SHIFTX2 predicts both the backbone and side chain 1H, 13C and 15N
chemical shifts for proteins using their structural (PDB) coordinates as
input.

# vim: ts=2 sw=2 et

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