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2022-06-28*: recursive bump for perl 5.36wiz1-2/+2
2021-05-24*: recursive bump for perl 5.34wiz1-2/+2
2020-10-12math/blas, math/lapack: Install interchangeable BLAS systembacon1-4/+3
Install the new interchangeable BLAS system created by Thomas Orgis, currently supporting Netlib BLAS/LAPACK, OpenBLAS, cblas, lapacke, and Apple's Accelerate.framework. This system allows the user to select any BLAS implementation without modifying packages or using package options, by setting PKGSRC_BLAS_TYPES in mk.conf. See mk/blas.buildlink3.mk for details. This commit should not alter behavior of existing packages as the system defaults to Netlib BLAS/LAPACK, which until now has been the only supported implementation. Details: Add new mk/blas.buildlink3.mk for inclusion in dependent packages Install compatible Netlib math/blas and math/lapack packages Update math/blas and math/lapack MAINTAINER approved by adam@ OpenBLAS, cblas, and lapacke will follow in separate commits Update direct dependents to use mk/blas.buildlink3.mk Perform recursive revbump
2020-08-31*: bump PKGREVISION for perl-5.32.wiz1-2/+2
2019-11-02biology: align variable assignmentsrillig1-8/+8
pkglint -Wall -F --only aligned --only indent -r
2019-08-11Bump PKGREVISIONs for perl 5.30.0wiz1-2/+2
2018-08-22Recursive bump for perl5-5.28.0wiz1-2/+2
2018-01-01Cleanup: replace curly braces with parentheses.rillig1-4/+4
2016-07-09Bump PKGREVISION for perl-5.24.0 for everything mentioning perl.wiz1-2/+2
2016-01-03If we have started forcing another Fortran compiler (like for MOPAC7asau1-2/+3
in biology/mopac), force it here too.
2015-06-12Recursive PKGREVISION bump for all packages mentioning 'perl',wiz1-2/+2
having a PKGNAME of p5-*, or depending such a package, for perl-5.22.0.
2014-12-11Don't depend on implicit ${PREFIX}/lib.joerg1-2/+2
2014-05-29Bump for perl-5.20.0.wiz1-2/+2
Do it for all packages that * mention perl, or * have a directory name starting with p5-*, or * depend on a package starting with p5- like last time, for 5.18, where this didn't lead to complaints. Let me know if you have any this time.
2013-07-03Revbump from devel/libexecinfo/builtin.mk.ryoon1-2/+2
2013-05-31Bump all packages for perl-5.18, thatwiz1-1/+2
a) refer 'perl' in their Makefile, or b) have a directory name of p5-*, or c) have any dependency on any p5-* package Like last time, where this caused no complaints.
2013-04-06Various MASTER_SITES-related fixes.rodent1-2/+2
2013-04-01Leave a note about Tk dependency so that the story doesn't repeat.asau1-1/+4
Skip interpreter check for tkmolrender.
2013-04-01Revert. It doesn't require Tk to be functional.asau1-2/+2
2013-04-01Uses wish at runtime.sbd1-2/+2
2013-03-16Import MPQC 2.3.1 as biology/mpqcasau1-0/+40
MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schroedinger equation. It runs on a wide range of architectures ranging from single many-core computers to massively parallel computers. Its design is object oriented, using the C++ programming language. Capabilities * Closed shell, unrestricted and general restricted open shell Hartree-Fock energies and gradients * Closed shell, unrestricted and general restricted open shell density functional theory energies and gradients * Second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies. * Second order closed shell Moller-Plesset perturbation theory energies and gradients. * Second order Moller-Plesset perturbation theory including an R12/F12 correlation factor. Energies of closed- and open-shell systems are supported. * Explicitly-correlated R12/F12 coupled-cluster methods via interface to Psi3 code and via native (experimental) implementation. * Explicitly-correlated multireference methods (MRCI, CASPT2) via interfaces to GAMESS and MOLCAS codes. * Robust internal coordinate geometry optimizer that efficiently optimizes molecules with many degrees of freedom. Nearly arbitrary internal coordinate constraints can be handled.