Molpro installation on Linux

[Heorhi]

Hello,

I would like to clarify the recommended installation procedure for Molpro on Linux.

From the documentation and general experience, I see two possible approaches:

Install Molpro from the provided Linux distribution by copying it to the target machine, unpacking it (e.g. with tar), setting PATH and scratch directory, and running the supplied binaries.

Install Molpro by manually assembling or building components and dependencies.

Could someone confirm which approach is intended for Molpro?

Is the standard and supported method simply unpacking the provided distribution and configuring environment variables?

If there are any best practices or common pitfalls for Linux installations, I would appreciate any advice.

Thank you.

[葉哲和]

Hello,

It depends on if you have the source code or not. Normally you will only get the prebuilt binary from a gzip file. Simply unzip it, chomd +x to the shell script that pops up, and execute it. Follow the instructions as they prompt up. And then you are all good.

Best,

Che

pitse...@gmail.com 在 2026年2月5日 星期四晚上10:05:34 [UTC+8] 的信中寫道：