aboutsummaryrefslogtreecommitdiff
path: root/science/nwchem
Commit message (Expand)AuthorAgeFilesLines
* science/nwchem: Update 7.0.2.20211110 -> 7.0.2.20220224Yuri Victorovich2022-02-252-10/+10
* science/nwchem: Update 7.0.2.20211109 -> 7.0.2.20211110Yuri Victorovich2021-11-122-11/+27
* science/nwchem: Update 7.0.2.20211105 -> 7.0.2.20211109Yuri Victorovich2021-11-092-12/+8
* science/nwchem: Update 7.0.2 -> 7.0.2.20211105 (current master revision)Yuri Victorovich2021-11-064-41/+25
* science/nwchem: Fix tests by adding relevant shebang fixes and adding TEST_DE...Yuri Victorovich2021-11-051-3/+7
* science/nwchem: Add options to choose MPI implementationYuri Victorovich2021-10-301-5/+17
* science/nwchem: Add the PYTHON option enabling python syntax in .nw filesYuri Victorovich2021-10-201-0/+8
* science/nwchem: Mark as broken on aarch64.Mikael Urankar2021-09-261-0/+2
* One more small cleanup, forgotten yesterday.Mathieu Arnold2021-04-071-1/+0
* Remove # $FreeBSD$ from Makefiles.Mathieu Arnold2021-04-061-1/+0
* science/nwchem: Update 7.0.1 -> 7.0.2Yuri Victorovich2020-10-153-5/+5
* science/nwchem: Update 7.0.0 -> 7.0.1Yuri Victorovich2020-10-094-22/+9
* science/nwchem: Update to 7.0.0-releaseYuri Victorovich2020-05-072-4/+5
* science/nwchem: Update 6.8.1.20190820 -> 7.0.0-beta1Yuri Victorovich2019-11-233-11/+45
* science/nwchem: Update 6.8.1.20190816 (b8ef5a23b) -> 6.8.1.20190820 (2450e37ef)Yuri Victorovich2019-08-212-5/+5
* science/nwchem: 6.8.1.20190809 (81507e607) -> 6.8.1.20190816 (b8ef5a23b)Yuri Victorovich2019-08-172-5/+5
* science/nwchem: Update 6.8.1.20190606 -> 6.8.1.20190809Yuri Victorovich2019-08-112-6/+5
* Bump PORTREVISION for ports depending on the canonical version of GCCGerald Pfeifer2019-07-261-0/+1
* science/nwchem: Update 6.8.1.20190509 -> 6.8.1.20190606Yuri Victorovich2019-06-082-6/+6
* science/nwchem: Update 6.8.1.20190412 -> 6.8.1.20190509Yuri Victorovich2019-05-112-6/+5
* Related to revision 499061 bump ports with USES=fortran to have themGerald Pfeifer2019-04-221-0/+1
* science/nwchem: Update 6.8.1.20190403 -> 6.8.1.20190412Yuri Victorovich2019-04-132-5/+5
* science/nwchem: Update 6.8.1.20190319 -> 6.8.1.20190403Yuri Victorovich2019-04-062-5/+5
* science/nwchem: Update 6.8.1.20190314 -> 6.8.1.20190319Yuri Victorovich2019-03-192-5/+8
* science/nwchem: 6.8.1.20190222 (d8ac0a182) -> 6.8.1.20190314 (b959e5ee0)Yuri Victorovich2019-03-172-5/+5
* science/nwchem: Update 6.8.1.20190125 -> 6.8.1.20190222Yuri Victorovich2019-02-262-7/+6
* New port: science/nwchem-data: Data for NWChem, the computational chemistry s...Yuri Victorovich2019-01-262-1445/+4
* science/nwchem: Update 6.8.1.20181107 -> 6.8.1.20190125Yuri Victorovich2019-01-263-11/+6
* Bump PORTREVISION for ports depending on the canonical version of GCCGerald Pfeifer2018-12-121-0/+1
* science/nwchem: fix build on powerpc64Yuri Victorovich2018-12-072-1/+6
* science/nwchem: Fix build on 32-bit systemsYuri Victorovich2018-11-101-3/+3
* science/nwchem: Unbreak on i386: use NWCHEM_TARGET=LINUX on 32-bit architecturesYuri Victorovich2018-11-081-3/+2
* science/nwchem: Update to the latest revision: 6.8.1-release-144 -> 6.8.1.201...Yuri Victorovich2018-11-083-5/+6
* science/nwchem: Update 6.8.1-release-94 -> 6.8.1-release-144Yuri Victorovich2018-10-094-13/+6
* science/nwchem: Remove the wrapper script with LD_PRELOAD, achieve the same b...Yuri Victorovich2018-10-063-9/+14
* Change 20 ports from net/mpich2 to net/mpichYuri Victorovich2018-09-221-2/+2
* science/nwchem: Add build-time python dependencyYuri Victorovich2018-09-011-1/+3
* science/nwchem: Add forgotten filesYuri Victorovich2018-08-253-0/+1461
* science/nwchem: Add additional build steps and environment variablesYuri Victorovich2018-08-241-2/+8
* science/nwchem: Fix the mistake in handling the config fileYuri Victorovich2018-08-231-5/+2
* science/nwchem: Fix typoYuri Victorovich2018-08-231-1/+1
* New port: science/nwchem: High-performance computational chemistry sotwareYuri Victorovich2018-08-233-0/+76