Comments (4)
It depends on which ones you're targeting and how you're getting psi4. If you're building from src, you'd -D ENABLE_<addon>=ON
as described here https://github.com/psi4/psi4/blob/master/CMakeLists.txt#L69-L108 . (Note that "addon"s is what you'd want to search; "plugins" are different in psi4.)
If you're using the conda binary, it varies by the nature of the addon. Addons that have to be enabled/disabled at psi4-build-time tend to be already in the psi4 binary. Unfortunately CheMPS2 is one that hasn't been transitioned to conda-forge yet due to license issues. You could grab psi4 v1.7 to use it. Ambit is available to install from c-f. Other addons that psi4 doesn't need to know about at compile time, like cppe or dftd3, can be conda installed at any time.
That's the general picture. I can probably help on specifics if you run into difficulties.
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Thank you loriab! I am mainly looking to install ambit so that I can compile forte. On the way I found CheMSP2 to be potentially useful. Is there a way I could independently install CheMSP2 in the same conda environment as Psi4?
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Ambit's easy, conda install pyambit -c conda-forge
. There's nothing in psi that actually links to it, so it's fine to simply install psi4 binary and ambit binary into the same env.
For CheMPS2, are you wanting to run chemps2 through psi4? That's easy to enable if you're building psi4 from src. But there isn't a good sol'n for using psi4 binary. I'd suggest compiling chemps2 from src if you want chemps2 w/o psi4 linkage. Or wait until we finally re-plugin-ize it.
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Obligatory ping to @fevangelista on things Forte.
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Related Issues (20)
- Plugin example broken HOT 1
- CASSCF calculation on hydrogen molecule fails HOT 1
- Many tests fail: 143 failed, 576 warnings, 282 errors HOT 3
- The 'unexpected indent' error in some samples
- Excited State Optimization HOT 3
- how to brack down the dual descriptor results from cubprop() into atom level?
- doesn't work HOT 8
- Calculation runs without molecule set HOT 2
- DDX_SOLVENT_EPSILON ignored over DDX_SOLVENT HOT 3
- CUHF as a reference HOT 1
- CUHF as a reference HOT 2
- Density fiiting question HOT 3
- Frequency Calculations Are Slow or Time Consuming HOT 4
- psi4 fails when conda installed in symlinked directory HOT 4
- How to specifiy response properties in qcschema jobs
- Linking BrianQC with PSI4 on Windows HOT 1
- Gallium Excitations HOT 1
- Strange MBIS charges for molecules with Iodine when using DDX and def2-TZVPPD basis HOT 4
- Potential bug in sad.cc: definition of pseudo-orbitals HOT 1
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