MPWorks
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ImportError: cannot import name MPVaspInputSet
After updates to pymatgen.io.vasp.sets, lpad commands to run or modify workflows seem to encounter the following errors. Also some of the input parameter yaml files in pymatgen.io.vasp (such as MITVaspInputSet.yaml, MITHSEVaspInputSet.yaml, MPHSEVaspInputSet.yaml, MPVaspInputSet.yaml) have disappeared in recent releases.
File "/global/u1/h/harklee/hark_inter/codes/MPWorks/mpworks/firetasks/vasp_setup_tasks.py", line 8, in
ImportError: cannot import name MPVaspInputSet
Hi Hark,
MPWorks is not compatible with pymatgen 4 (yet). Please downgrade to an earlier version.
Best, Patrick On Jul 1, 2016 12:39 PM, "harklee" [email protected] wrote:
After updates to pymatgen.io.vasp.sets, lpad commands to run or modify workflows seem to encounter the following errors. Also some of the input parameter yaml files in pymatgen.io.vasp have disappeared in recent releases.
File "/global/u1/h/harklee/hark_inter/codes/MPWorks/mpworks/firetasks/vasp_setup_tasks.py", line 8, in from pymatgen.io.vasp.sets import MPVaspInputSet, MPStaticVaspInputSet,
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Yes, Patrick,
Looks like the whole bunch of input sets are being depreciated and sorted out. I looked for which would be the best head # to revert pymatgen to, and a63bcdf seems to work fine. That's just before all the major changes were made. Thanks.
No, you should not be reverting pymatgen. You should pin MPWorks to an older pymatgen version.
Note that I gave deprecation warning messages for 3-6 months, and stated very clearly that the switch will occur on Jul 1. The MPworks incompatibilities should have been sorted out long before today. I am not going to hold back pymatgen upgrade because of this.
I agree. My NMR workflows are implemented using the new style input set. Now I have great fear to break existing workflows by merging my branch.
On Fri, Jul 1, 2016 at 2:32 PM, Shyue Ping Ong [email protected] wrote:
No, you should not be reverting pymatgen. You should pin MPWorks to an older pymatgen version.
Note that I gave deprecation warning messages for 3-6 months, and stated very clearly that the switch will occur on Jul 1. The MPworks incompatibilities should have been sorted out long before today. I am not going to hold back pymatgen upgrade because of this.
— You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub https://github.com/materialsproject/MPWorks/issues/16#issuecomment-230051895, or mute the thread https://github.com/notifications/unsubscribe/AEbm36PuqoBd8N1ALao7IH2LrQ8v0PB6ks5qRYeAgaJpZM4JDbTb .
yes, Shyue, I'm aware. Thanks. In Hark's case, he installed pymatgen from MPenv which installs the development version from GitHub and I just wanted to get him going again as quickly as quickly as possible.
On Fri, Jul 1, 2016 2:32 PM, Shyue Ping Ong [email protected] wrote: No, you should not be reverting pymatgen. You should pin MPWorks to an older pymatgen version.
Note that I gave deprecation warning messages for 3-6 months, and stated very clearly that the switch will occur on Jul 1. The MPworks incompatibilities should have been sorted out long before today. I am not going to hold back pymatgen upgrade because of this.
— You are receiving this because you commented. Reply to this email directly, view it on GitHub , or mute the thread .