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t.cgi/freebsd-ports-gnome/commit/science/nwchem?id=8e468e71569da3a8dd9ba98bc35dc8d333d35bc4'>science/nwchem: Unbreak on i386: use NWCHEM_TARGET=LINUX on 32-bit architecturesyuri2018-11-091-3/+2 | | | | Based on the advise of the upstream devs. * science/nwchem: Update to the latest revision: 6.8.1-release-144 -> ↵yuri2018-11-083-5/+6 | | | | 6.8.1.20181107 * science/nwchem: Update 6.8.1-release-94 -> 6.8.1-release-144yuri2018-10-094-13/+6 | | | | They fixed the bug that external LDFLAGS weren't used. * science/nwchem: Remove the wrapper script with LD_PRELOAD, achieve the same ↵yuri2018-10-063-9/+14 | | | | | | by properly passing LDFLAGS to the link command Also remove one unnecessary file that comes with the .orig suffix. * Change 20 ports from net/mpich2 to net/mpichyuri2018-09-231-2/+2 | | | | | | | | | | mpich2 is the obsolete version 2.x, mpich is at the current version 3.x Ports: math/scalapack science/nwchem science/quantum-espresso science/qmcpack science/madness science/qbox science/openmx science/jdftx science/fleur science/libgridxc science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich * science/nwchem: Add build-time python dependencyyuri2018-09-021-1/+3 | * science/nwchem: Add forgotten filesyuri2018-08-253-0/+1461 | * science/nwchem: Add additional build steps and environment variablesyuri2018-08-241-2/+8 | | | | | | Otherwise the binary fails for some testcases. Reported by: upstream maintainer, user edoapra on github * science/nwchem: Fix the mistake in handling the config fileyuri2018-08-241-5/+2 | * science/nwchem: Fix typoyuri2018-08-241-1/+1 |