[Chimera-users] scipy problem
pett at cgl.ucsf.edu
Thu Aug 22 17:01:28 PDT 2019
Yes, MMTK — which we use under the hood for minimization, computing MD trajectories, and a few other things — will not work with numpy 1.9 or newer. This is obviously a problem for installing an up-to-date scipy. You never really said what your overall goal was that required scipy, but maybe you could use PyChimera? https://pychimera.readthedocs.io/en/latest/ <https://pychimera.readthedocs.io/en/latest/>
UCSF Computer Graphics Lab
> On Aug 20, 2019, at 10:32 PM, William <3121437640 at qq.com> wrote:
> Dear Eric,
> I have tried the instructions following the FAQ, but there is another problem. The scipy installed successfully. However, it installed a higher version of the numpy when installing scipy. And the older version of numpy is still in. The chimera can not work. Anyway, thanks a lot.
> ------------------ 原始邮件 ------------------
> 发件人: "Eric Pettersen"<pett at cgl.ucsf.edu>;
> 发送时间: 2019年8月20日(星期二) 凌晨1:46
> 收件人: "William"<3121437640 at qq.com>;
> 抄送: "chimera-users"<chimera-users at cgl.ucsf.edu>;
> 主题: Re: [Chimera-users] scipy problem
> Hi William,
> I don’t know why Jaime’s instructions don’t work. Maybe he can follow up. Regardless, we have our own instructions for installing pip (and pip-able packages like scipy). It’s in the Chimera Programming FAQ <https://www.cgl.ucsf.edu/chimera/docs/ProgrammersGuide/faq.html>. Question 3b. If those instructions don’t work, please let us know.
> Eric Pettersen
> UCSF Computer Graphics Lab
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