why free quantum codes are so hard to settup?


Just Got Here
Nwchem is propably a great code, but the main drawback is how to settup it!




You have really to work hard to make nwchem easy to settup. I dont have either red hat , or suse: only fedora. But I just cannot compile although all packages and libraries (mpich, python, gcc, etc) are on my workstation. This is as frustrating as annoying! I had the same problem with gamess: just impossible to settup on windows, and possible on fedora after one month of trying hard!

Just Got Here
cannot settup on fedora 19
I tried on fedora 19 and when i use the command make , this is the error message:

test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64
test -d /home/patrice/nwchem-6.5/lib/LINUX64 || mkdir -p /home/patrice/nwchem-6.5/lib/LINUX64
Making libraries in tools
test -d /home/patrice/nwchem-6.5/bin/LINUX64 || mkdir -p /home/patrice/nwchem-6.5/bin/LINUX64
./util/util_nwchem_version.bash
make: execvp: ./util/util_nwchem_version.bash : Permission non accordée
make: *** [directories] Erreur 127
make: *** Attente des tâches non terminées....
make[1]: AVERTISSEMENT : -jN forcé dans un submake : désactivation du mode serveur de tâches.

      • Configuring Parallel Tools ****

/bin/sh: ../util/util_ga_version.bash: Permission non accordée
make[1]: *** [build/config.status] Erreur 126
make: *** [libraries] Erreur 1


Forum Vet
Dear Patrice
As an alternative, you might want to try to install the RPM binaries of NWChem. For example:
https://archive.fedoraproject.org/pub/fedora/linux/updates/20/x86_64/nwchem-6.5.26243-13.f...
https://archive.fedoraproject.org/pub/fedora/linux/updates/20/x86_64/nwchem-common-6.5.262...
https://archive.fedoraproject.org/pub/fedora/linux/updates/20/x86_64/nwchem-mpich-6.5.2624...

More details at
http://nwchemgit.github.io/index.php/Download#NWChem_availability_in_Linux_distributions


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