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Commits on Mar 10, 2024

• Move {sci-libs → dev-python}/scikit-learn

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Commits on Mar 2, 2024

• sci-chemistry/autodock_vina: Fix build with recent boost

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Commits on Feb 29, 2024

• sci-chemistry/gromacs: add 2023.4, drop 2023.3

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• sci-chemistry/gromacs: drop 2022.9999

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• sci-chemistry/gromacs: drop 2021.6

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• sci-chemistry/gromacs: drop 2022.5-r1

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• sci-chemistry/gromacs: drop 2023.1-r1, 2023.2

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• sci-chemistry/gromacs: add 2024.1

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Commits on Feb 1, 2024

• sci-chemistry/gromacs: add 2024, drop 2024_rc

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Commits on Jan 25, 2024

• sci-chemistry/gromacs: add 2023.3

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Commits on Jan 23, 2024

• sci-chemistry/gromacs: destabilize for ~arm

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Commits on Jan 20, 2024

• sci-chemistry/gromacs: add 2024_rc, drop 2024_beta

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Commits on Jan 12, 2024

• Move {app-doc → app-text}/doxygen

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Commits on Jan 8, 2024

• sci-chemistry/mpqc: sys-devel/flex -> app-alternatives/lex

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Commits on Dec 26, 2023

• profiles/use.desc: Make USE=cuda global

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Commits on Dec 16, 2023

• sci-chemistry/gelemental: Stabilize 2.0.2 amd64, #920146

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• sci-chemistry/cluster: Stabilize 1.3.081231-r2 amd64, #920145

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• sci-chemistry/votca: Stabilize 2022.1 amd64, #920126

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Commits on Nov 24, 2023

• sci-chemistry/gromacs: add 2024_beta, 2024.9999

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• sci-chemistry/wxmacmolplt: add github upstream metadata

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• sci-chemistry/wxmacmolplt: add 7.7.2

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• sci-chemistry/openbabel: Works with wxGTK 3.2

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Commits on Nov 12, 2023

• sci-chemistry/chemtool: Use transfig from fig2dev

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Commits on Nov 1, 2023

• sci-chemistry/gromacs: enable py3.12

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• sci-chemistry/gromacs: add quotes for ${HOME}

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• sci-chemistry/gromacs: disable py3.9

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• sci-chemistry/gromacs: Fix urls

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Commits on Oct 27, 2023

• sci-chemistry/easychem: revbump for clang-16 fix

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• sci-chemistry/easychem: Fix build with clang 16

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Commits on Oct 26, 2023

• sci-chemistry/dssp: add 4.4.4.1

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Commits on Oct 20, 2023

• sci-chemistry/gromacs: Fix compilation with gcc-13

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Commits on Oct 19, 2023

• sci-chemistry/msms-bin: Fix download location

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Commits on Oct 14, 2023

• sci-chemistry/MDAnalysis: add 2.6.1, drop 2.4.3

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Commits on Oct 5, 2023

• Rename dev-python/{pytables → tables}

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Commits on Sep 19, 2023

• sci-chemistry/molequeue: fix VariableShadowed

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