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m3g / packmol

Packmol - Initial configurations for molecular dynamics simulations
http://m3g.github.io/packmol
MIT License
222 stars 51 forks source link

packmol dependence on libgfortran3? #32

Closed pmqn closed 2 years ago

pmqn commented 2 years ago

It seems packmol depends on package libgfortran3. However, on newer ubuntu OS, libgfortran3 is no long supported as it requires an older version of gcc. Running packmol will lead to this error error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory

mattwthompson commented 2 years ago

Hi, could you share how you installed it (or built from source)?

pmqn commented 2 years ago

Hi, could you share how you installed it (or built from source)?

I followed the instruction to install packmol

tar -xvzf packmol.tar.gz
cd packmol
make

I am working on Ubuntu 22.04.1 LTS and have difficulty in installing libgfortran3

lmiq commented 2 years ago

This looks like a broken installation of gfortran. Normally you would need to install this library separately.

lmiq commented 2 years ago

usually you should just have done "sudo apt install gfortran" and it should work.

lmiq commented 2 years ago

Did you succeed? Can you provide any additional info on the problem?

pmqn commented 2 years ago

I reinstalled all and now it works perfectly. Thanks a lot!