MAPS from Scienomics offers a wide range of simulation engines in the areas of quantum, classical, mesoscale, QSAR and thermodynamic modeling. Here's a short installation guide:
1)First you should download a number of files for MAPS which are available on Scienomics site (They are zipped). -> Create a directory with them.
2)You unzip the file called maps-3.3.3-1.x86_64.zip.
Then it is automatically created a directory with name maps-3.3.3 . It contains some files:In order to execute the following commands, you must be a sudo user.
3)You need to convert the files contained in the maps-3.3.3 directoty from .rpm files to .deb files with the alien command:
For the Core packages of MAPS:
sudo alien -d -c SciPython-2.6.7-1.x86_64.rpm ----> scipython_2.6.7-2_amd64.deb
sudo alien -d -c MAPS-3.3.3-1.x86_64.rpm ----> maps_3.3-2_amd64.deb
sudo alien -d -c intel-mpi-rt-intel64-4.0.2p-003.x86_64.rpm ----> intel-mpi-rt-intel64_4.0.2p-4_amd64.deb
sudo alien -d -c intel-mpi-rt-4.0.2p-003.noarch.rpm ----> intel-mpi-rt_4.0.2p-4_all.deb
Then for the Compute engines:
sudo alien -d -c abinit-6.10.2-1.x86_64.rpm ----> abinit_6.10.2-2_amd64.deb
sudo alien -d -c lammps-30aug12-1.x86_64.rpm ----> lammps_30Aug12-2_amd64.deb
sudo alien -d -c mndo-6.1-4.x86_64.rpm ----> mndo_6.1-5_amd64.deb
sudo alien -d -c qmpot-2000-4.x86_64.rpm ----> qmpot_2000-2_amd64.deb
sudo alien -d -c towhee-7.0.2-1.x86_64.rpm ----> towhee_7.0.2-2_amd64.deb
sudo alien -d -c scitherm-1.1-2.x86_64.rpm ----> scitherm_1.1-2_amd64.deb
4)Finally you should install the generated .deb files using the dpkg i command:
Install the generated debs for the core packages:
sudo dpkg -i scipython_2.6.7-2_amd64.deb
sudo dpkg -i maps_3.3-2_amd64.deb
sudo dpkg -i intel-mpi-rt-intel64_4.0.2p-4_amd64.deb
sudo dpkg -i intel-mpi-rt_4.0.2p-4_all.deb
And then install the generated deb files for the computer engines:
sudo dpkg -i abinit_6.10.2-2_amd64.deb
sudo dpkg -i lammps_30Aug12-2_amd64.deb
sudo dpkg -i mndo_6.1-5_amd64.deb
sudo dpkg -i qmpot_2000-2_amd64.deb
sudo dpkg -i towhee_7.0.2-2_amd64.deb
sudo dpkg -i scitherm_1.1-2_amd64.deb
1)First you should download a number of files for MAPS which are available on Scienomics site (They are zipped). -> Create a directory with them.
2)You unzip the file called maps-3.3.3-1.x86_64.zip.
Then it is automatically created a directory with name maps-3.3.3 . It contains some files:In order to execute the following commands, you must be a sudo user.
3)You need to convert the files contained in the maps-3.3.3 directoty from .rpm files to .deb files with the alien command:
For the Core packages of MAPS:
sudo alien -d -c SciPython-2.6.7-1.x86_64.rpm ----> scipython_2.6.7-2_amd64.deb
sudo alien -d -c MAPS-3.3.3-1.x86_64.rpm ----> maps_3.3-2_amd64.deb
sudo alien -d -c intel-mpi-rt-intel64-4.0.2p-003.x86_64.rpm ----> intel-mpi-rt-intel64_4.0.2p-4_amd64.deb
sudo alien -d -c intel-mpi-rt-4.0.2p-003.noarch.rpm ----> intel-mpi-rt_4.0.2p-4_all.deb
Then for the Compute engines:
sudo alien -d -c abinit-6.10.2-1.x86_64.rpm ----> abinit_6.10.2-2_amd64.deb
sudo alien -d -c lammps-30aug12-1.x86_64.rpm ----> lammps_30Aug12-2_amd64.deb
sudo alien -d -c mndo-6.1-4.x86_64.rpm ----> mndo_6.1-5_amd64.deb
sudo alien -d -c qmpot-2000-4.x86_64.rpm ----> qmpot_2000-2_amd64.deb
sudo alien -d -c towhee-7.0.2-1.x86_64.rpm ----> towhee_7.0.2-2_amd64.deb
sudo alien -d -c scitherm-1.1-2.x86_64.rpm ----> scitherm_1.1-2_amd64.deb
4)Finally you should install the generated .deb files using the dpkg i command:
Install the generated debs for the core packages:
sudo dpkg -i scipython_2.6.7-2_amd64.deb
sudo dpkg -i maps_3.3-2_amd64.deb
sudo dpkg -i intel-mpi-rt-intel64_4.0.2p-4_amd64.deb
sudo dpkg -i intel-mpi-rt_4.0.2p-4_all.deb
And then install the generated deb files for the computer engines:
sudo dpkg -i abinit_6.10.2-2_amd64.deb
sudo dpkg -i lammps_30Aug12-2_amd64.deb
sudo dpkg -i mndo_6.1-5_amd64.deb
sudo dpkg -i qmpot_2000-2_amd64.deb
sudo dpkg -i towhee_7.0.2-2_amd64.deb
sudo dpkg -i scitherm_1.1-2_amd64.deb
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