LLNL / MemSurfer

MemSurfer is a software tool to compute bilayer membrane surfaces.
GNU General Public License v3.0
24 stars 9 forks source link

Updates on setup.py and sub-module definition #29

Open gefei-qian-nih opened 3 months ago

gefei-qian-nih commented 3 months ago

There are two places in setup.py that errored out. One is about checking gcc compiler name. Noe parameter is needed in _is_gcc() call. The other is on external library definition. libgmp was missed. This caused "memsurfer/_memsurfer_cmod.so: undefined symbol: __gmpq_add" error. These two parts are corrected in setup.py.

In the .sub-module defination, an https link is used for anonymous download.

Instruction is provided to install dependencies with conda.

lunamorrow commented 2 months ago

Hey @gefei-qian-nih. I'm trying to get memsurfer working. I've managed to install it a slightly different way, but with similar file changes to what you've done. Unfortunately, when I go to import the module from a test python file with python test.py and the memsurfer env activated, I receive this error:

Traceback (most recent call last):
  File "/home/user/Documents/Memsurfer_Setup/test.py", line 1, in <module>
    import memsurfer
  File "/home/user/Documents/Memsurfer_Setup/MemSurfer/memsurfer/__init__.py", line 15, in <module>
    from .membrane import Membrane
  File "/home/user/Documents/Memsurfer_Setup/MemSurfer/memsurfer/membrane.py", line 19, in <module>
    from pypoisson import poisson_reconstruction
ImportError: /home/user/Documents/Memsurfer_Setup/MemSurfer/pypoisson.so: undefined symbol: _Py_CheckRecursionLimit

Have you got any ideas? I cannot get into the SO file to figure out exactly whats going on.