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{chem}[foss/2022a] PySCF v2.1.1 w/ Python 3.10.4 #16862

Merged
merged 4 commits into from
Jan 28, 2023
Merged

{chem}[foss/2022a] PySCF v2.1.1 w/ Python 3.10.4 #16862

merged 4 commits into from
Jan 28, 2023

Commits on Dec 13, 2022

  1. adding easyconfigs: PySCF-2.1.1-foss-2022a.eb and patches: PySCF-2.1.… 

    …1_dmrgscf-settings.patch, PySCF-2.1.1_fciqmc-settings.patch, PySCF-2.1.1_icmpspt-exe-path.patch, PySCF-2.1.1_mbd-fix-init.patch
    @lexming
    lexming committed Dec 13, 2022
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Commits on Jan 17, 2023

  1. fix dependency on Block of PySCF v2.1.1

    @lexming
    lexming committed Jan 17, 2023
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Commits on Jan 20, 2023

  1. Merge branch 'develop' of https://github.com/easybuilders/easybuild-e… 

    …asyconfigs into 20221213144141_new_pr_PySCF211
    @boegel
    boegel committed Jan 20, 2023
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  2. add missing space before inline comment in PySCF 2.1.1 easyconfig to … 

    …make style checker happy
    @boegel
    boegel committed Jan 20, 2023
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