Eigenstate / vmd-python

Installable VMD as a python module
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Building with EGL support #47

Open josejimenezluna opened 1 year ago

josejimenezluna commented 1 year ago

Hi! Many thanks for providing this tool. I was trying to build the package with EGL support following the provided instructions under Ubuntu 22.04. I managed to install all listed dependencies but the setup.py script complained that it could not find libnetcdf.so in any standard library location.

This is solved by installing the libnetcdf-dev package under Debian/Ubuntu. Compilation seems to work fine for a while, but then returns non-exit zero status 2 which is not very descriptive.

make: *** [Makefile:546: py_atomsel.o] Error 1
Traceback (most recent call last):
  File "setup.py", line 448, in <module>
    setup(name='vmd-python',
  File "/home/jjimenezluna/miniconda3/envs/drugstruct/lib/python3.8/site-packages/setuptools/__init__.py", line 153, in setup
    return distutils.core.setup(**attrs)
  File "/home/jjimenezluna/miniconda3/envs/drugstruct/lib/python3.8/distutils/core.py", line 148, in setup
    dist.run_commands()
  File "/home/jjimenezluna/miniconda3/envs/drugstruct/lib/python3.8/distutils/dist.py", line 966, in run_commands
    self.run_command(cmd)
  File "/home/jjimenezluna/miniconda3/envs/drugstruct/lib/python3.8/distutils/dist.py", line 985, in run_command
    cmd_obj.run()
  File "setup.py", line 71, in run
    self.compile_vmd()
  File "setup.py", line 94, in compile_vmd
    check_call(cmd, cwd=srcdir)
  File "/home/jjimenezluna/miniconda3/envs/drugstruct/lib/python3.8/subprocess.py", line 364, in check_call
    raise CalledProcessError(retcode, cmd)
subprocess.CalledProcessError: Command '['/home/jjimenezluna/vmd-python/vmd/install.sh', 'LINUXAMD64', '/home/jjimenezluna/vmd-python/build/lib/vmd', '/home/jjimenezluna/miniconda3/envs/drugstruct']' returned non-zero exit status 2.

Do you folks know if I'm missing any other dependency? Any clue is appreciated.