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View Code? Open in Web Editor NEWA set of spack tools for installing NMR Software
A set of spack tools for installing NMR Software
under centos 8 csh is not installed
the user needs to sudo yum install tcsh
this needs to be added to documentation
centos 8 doesn't come with the correct libraries installed for Nmr pipe
sudo yum install xorg-x11-fonts-100dpi xorg-x11-fonts-ISO8859-1-100dpi
sudo yum install xorg-x11-fonts-misc
sudo yum install xorg-x11-fonts-75dpi xorg-x11-fonts-ISO8859-1-75dpi
sudo yum install -y libgcc.i686
sudo yum install -y glibc.i686
sudo yum install -y libX11.so.i6866
sudo yum install -y libXext.i686
sudo yum install -y libstdc++.i686
sudo yum install -y xorg-x11-fonts-75dpi
sudo yum install -y xorg-x11-fonts-ISO8859-1-75dpi
maybe these should all be run from one script under sudo
this is a bug in environment.py get_environment_change which uses sub_process_run capture_output which isn't available in python3.6 which is the install python3 on centos8
required change is below
#pre = subprocess.run(['/usr/bin/env', '-i', '/bin/csh', '-c', f"{pre_command}"], capture_output=True)
#post = subprocess.run(['/usr/bin/env', '-i', '/bin/csh','-c', f"{post_command}"], capture_output=True)
# required for python 3.6
pre = subprocess.run(['/usr/bin/env', '-i', '/bin/csh', '-c', f"{pre_command}"], stdout=PIPE, stderr=PIPE)
post = subprocess.run(['/usr/bin/env', '-i', '/bin/csh','-c', f"{post_command}"], stdout=PIPE, stderr=PIPE)
this appears to be a spack bug
talos and smile give bad checksums when installed with the nmrpipe/package.py
nmrpack needs to initialise functions when it starts up to allow easy access of paths and commands
program | state | ease | priority | notes |
---|---|---|---|---|
aria | partial | 8 | 3 | requires patches and python packages |
xplor | partial | 3 | 1 | demonstrator of e-mail technology |
cns | partial | 3 | 2 | |
nmrpipe | done macOS | 3 | 0 | would also like linux needs additional installs as does osx |
ccpn2 | none | 3 | 4 | |
ccpn3 | none | 5 | 5 |
only Mac OS
this fails to add module to the shell environment
this is a spack bug add has been added to the spack issue tracker
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