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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-10-30 04:36:22 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-10-30 04:36:22 +0000 |
| commit | 2d553375fcd4759dee33a95b3d869f58ed1421ea (patch) | |
| tree | 0752750c3a9d766d5139414d9b087f73f037fe56 /science/gpaw-setups | |
| parent | 0408769fa2131abf0a8901c99a81cc2c6ecb9488 (diff) | |
| download | ports-2d553375fcd4759dee33a95b3d869f58ed1421ea.tar.gz ports-2d553375fcd4759dee33a95b3d869f58ed1421ea.zip | |
New port: science/gpaw-setups: Setups (data files) for py-gpaw, the DFT quantum chemistry software
Notes
Notes:
svn path=/head/; revision=483445
Diffstat (limited to 'science/gpaw-setups')
| -rw-r--r-- | science/gpaw-setups/Makefile | 24 | ||||
| -rw-r--r-- | science/gpaw-setups/distinfo | 3 | ||||
| -rw-r--r-- | science/gpaw-setups/pkg-descr | 10 |
3 files changed, 37 insertions, 0 deletions
diff --git a/science/gpaw-setups/Makefile b/science/gpaw-setups/Makefile new file mode 100644 index 000000000000..7e3246ccef29 --- /dev/null +++ b/science/gpaw-setups/Makefile @@ -0,0 +1,24 @@ +# $FreeBSD$ + +PORTNAME= gpaw-setups +DISTVERSION= 0.9.11271 +CATEGORIES= science +MASTER_SITES= https://wiki.fysik.dtu.dk/gpaw-files/ + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Setups (data files) for py-gpaw, the DFT quantum chemistry software + +LICENSE= GPLv3+ +LICENSE_FILE= ${WRKSRC}/COPYING + +NO_BUILD= yes +NO_ARCH= yes + +do-install: + @${MKDIR} ${STAGEDIR}${DATADIR} + ${INSTALL_DATA} ${WRKSRC}/* ${STAGEDIR}${DATADIR} + # autoplist for potentials: 500+ files in DATADIR + @cd ${STAGEDIR}${PREFIX} && \ + ${FIND} ${DATADIR:S/^${PREFIX}\///} -type f >> ${TMPPLIST} + +.include <bsd.port.mk> diff --git a/science/gpaw-setups/distinfo b/science/gpaw-setups/distinfo new file mode 100644 index 000000000000..3d65e99d9d54 --- /dev/null +++ b/science/gpaw-setups/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1540854184 +SHA256 (gpaw-setups-0.9.11271.tar.gz) = 71083327cee250fc61e9a5f5b3907e55b457857b54629563509464cb54b02a97 +SIZE (gpaw-setups-0.9.11271.tar.gz) = 52601589 diff --git a/science/gpaw-setups/pkg-descr b/science/gpaw-setups/pkg-descr new file mode 100644 index 000000000000..e8778d2f6f81 --- /dev/null +++ b/science/gpaw-setups/pkg-descr @@ -0,0 +1,10 @@ +A setup is to the PAW method what a pseudo-potential is to the pseudo-potential +method. There are setups for the LDA, PBE, revPBE, RPBE and GLLBSC functionals. +The setups are stored as compressed XML specification for atomic PAW datasets +files. + +This package installs the setups into the default location, +$(PREFIX)/share/gpaw-setups. You can use the GPAW_SETUP_PATH environment +variable with py-gpaw to override this default location. + +WWW: https://wiki.fysik.dtu.dk/gpaw/setups/setups.html |