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block-hczhai / block2-preview

Efficient parallel quantum chemistry DMRG in MPO formalism
GNU General Public License v3.0
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Update docs for Forte and add misc troubleshooting tips #105

Closed brianz98 closed 3 months ago

brianz98 commented 3 months ago

Per email conversations with, and thanks to @hczhai

hczhai commented 3 months ago

Thanks for the edits.

For https://github.com/block-hczhai/block2-preview/pull/105/files#diff-76586832a4d2a4e14dcef86064106b948c780398b6ea4eaaa3afbcc61b6a71a5L20, the version tag should not be removed (otherwise, it may not be reproducible at some future date). For now you may use -b p0.5.3rc15 (the fix for build_clib is included in this tag now).

Ideally, a version tag for Forte is also needed. For now you can use -b gha-block2 and when you have Forte v0.4.2 you may change it to -b v0.4.2.

brianz98 commented 3 months ago

Thanks for the edits.

For https://github.com/block-hczhai/block2-preview/pull/105/files#diff-76586832a4d2a4e14dcef86064106b948c780398b6ea4eaaa3afbcc61b6a71a5L20, the version tag should not be removed (otherwise, it may not be reproducible at some future date). For now you may use -b p0.5.3rc15 (the fix for build_clib is included in this tag now).

Ideally, a version tag for Forte is also needed. For now you can use -b gha-block2 and when you have Forte v0.4.2 you may change it to -b v0.4.2.

Done, thanks a lot!