IPKM/python-pygmx
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Bundle commit of all recent changes on pygmx.

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This commit is contained in:
Niels Müller
2016-03-30 11:52:02 +02:00
parent 435e9adaf2
commit 56c38cb46b
8 changed files with 214 additions and 47 deletions
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16
setup.py
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@ -26,7 +26,7 @@ elif os.path.exists('gromacs/build/lib'):
if not library_dirs:
raise OSError("""
Gromacs library not found.
Activate a gromacs module or specify environment variable LD_LIBRARY_PATH.
Activate a gromacs module or set environment variable LD_LIBRARY_PATH.
""")
library_dirs.append('gromacs/src/external/tng_io/build/lib')
@ -53,14 +53,22 @@ extensions = [
library_dirs=library_dirs,
runtime_library_dirs=library_dirs,
language='c++'),
Extension('pygmx.tngio',
sources=['pygmx/tngio.pyx'],
Extension('pygmx.enxio',
sources=['pygmx/enxio.pyx'],
include_dirs=include_dirs,
libraries=['gromacs'],
library_dirs=library_dirs,
runtime_library_dirs=library_dirs,
language='c++'),
# Extension('pygmx.tngio',
# sources=['pygmx/tngio.pyx'],
# include_dirs=include_dirs,
# libraries=['gromacs'],
# library_dirs=library_dirs,
# runtime_library_dirs=library_dirs,
#language='c++'
),
# ),
]