diff options
author | Drobot Viktor | 2019-03-29 00:42:37 +0300 |
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committer | Drobot Viktor | 2019-03-29 00:42:37 +0300 |
commit | 672eb73affea91098ae41fd2d9e4e89239e4a2ee (patch) | |
tree | a51ea78c84b3bced4c4c83771980ef09a61f0dc5 | |
parent | 79536271fbb4d15bc03d3711320d843a4a71e9be (diff) | |
download | aur-672eb73affea91098ae41fd2d9e4e89239e4a2ee.tar.gz |
Add NetCDF support for mdpocket
-rw-r--r-- | .SRCINFO | 9 | ||||
-rw-r--r-- | PKGBUILD | 23 | ||||
-rw-r--r-- | fpocket.patch | 28 |
3 files changed, 28 insertions, 32 deletions
@@ -1,6 +1,6 @@ pkgbase = fpocket-git pkgdesc = Fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation - pkgver = 3.1.2 + pkgver = r84.d9012c1 pkgrel = 1 url = https://github.com/Discngine/fpocket arch = i686 @@ -8,10 +8,13 @@ pkgbase = fpocket-git license = MIT makedepends = git makedepends = patch - source = git+https://github.com/Discngine/fpocket.git + makedepends = gcc + depends = netcdf + depends = vmd-molfile-plugins + source = fpocket-git::git+https://github.com/Discngine/fpocket.git source = fpocket.patch sha1sums = SKIP - sha1sums = 376060e821c23483effa2befb6e090d81dcc4d5e + sha1sums = 9e2ec2ad73e0951446d3521335fc90cda12ebf8b pkgname = fpocket-git @@ -1,33 +1,36 @@ # Maintainer: Viktor Drobot (aka dviktor) linux776 [at] gmail [dot] com pkgname=fpocket-git -pkgver=3.1.2 +pkgver=r84.d9012c1 pkgrel=1 pkgdesc="Fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation" arch=('i686' 'x86_64') license=('MIT') url="https://github.com/Discngine/fpocket" -makedepends=('git' 'patch') -source=("git+https://github.com/Discngine/fpocket.git" +depends=('netcdf' 'vmd-molfile-plugins') +makedepends=('git' 'patch' 'gcc') +source=("$pkgname::git+https://github.com/Discngine/fpocket.git" "fpocket.patch") sha1sums=('SKIP' - '376060e821c23483effa2befb6e090d81dcc4d5e') + '9e2ec2ad73e0951446d3521335fc90cda12ebf8b') + +pkgver() { + cd "${pkgname}" + printf "r%s.%s" "$(git rev-list --count HEAD)" "$(git rev-parse --short HEAD)" +} prepare() { - cd ${srcdir}/fpocket + cd ${pkgname} patch -Np0 -i "${srcdir}/fpocket.patch" } build() { - cd ${srcdir}/fpocket + cd ${pkgname} make } package() { - mkdir -p ${pkgdir}/usr/bin - mkdir -p ${pkgdir}/usr/share/man/man8 - - cd ${srcdir}/fpocket + cd ${pkgname} install -Dm755 bin/fpocket ${pkgdir}/usr/bin/fpocket install -Dm755 bin/dpocket ${pkgdir}/usr/bin/dpocket diff --git a/fpocket.patch b/fpocket.patch index 14dc20324eda..980b5abd041b 100644 --- a/fpocket.patch +++ b/fpocket.patch @@ -1,26 +1,16 @@ ---- makefile 2018-09-14 16:37:11.552447515 +0300 -+++ makefile 2018-09-14 16:35:07.558785168 +0300 -@@ -38,7 +38,7 @@ +--- makefile 2019-03-29 00:31:30.876920063 +0300 ++++ makefile.new 2019-03-29 00:29:17.804365698 +0300 +@@ -34,11 +34,11 @@ + CDEBUG = -DMNO_MEM_DEBUG + CWARN = -Wall -Wextra -Wwrite-strings -Wstrict-prototypes + +-CFLAGS = $(CWARN) $(COS) $(CDEBUG) -O2 -g -pg -std=c99 -I$(PLUGINDIR)/include -I$(PLUGINDIR)/$(ARCH)/molfile #$(CGSL) ++CFLAGS = $(CWARN) $(COS) $(CDEBUG) -O2 -g -pg -std=c99 -I$(PLUGINDIR)/include -I/usr/include/vmd-molfile-plugins/ #$(CGSL) QCFLAGS = -O -g -pg -ansi LGSL = -L$(PATH_GSL)lib -lgsl -lgslcblas -LFLAGS = -lm -L$(PLUGINDIR)/$(ARCH)/molfile $(PLUGINDIR)/$(ARCH)/molfile/libmolfile_plugin.a -lnetcdf -lstdc++ -+LFLAGS = -lm -L$(PLUGINDIR)/$(ARCH)/molfile $(PLUGINDIR)/$(ARCH)/molfile/libmolfile_plugin.a -lstdc++ ++LFLAGS = -lm -L/usr/lib/vmd-molfile-plugins /usr/lib/vmd-molfile-plugins/libmolfile_plugin.a -lnetcdf -lstdc++ # #------------------------------------------------------------ # BINARIES OBJECTS ---- src/mdpocket.c 2018-09-14 16:37:31.845834900 +0300 -+++ src/mdpocket.c 2018-09-14 16:35:21.485488676 +0300 -@@ -92,10 +92,10 @@ - char pdb_code[350] = ""; - - -- if (!strncmp(par->traj_format, "net", 3)) { -+/* if (!strncmp(par->traj_format, "net", 3)) { - molfile_netcdfplugin_init(); - molfile_netcdfplugin_register(NULL, register_cb); -- } -+ }*/ - if (!strncmp(par->traj_format, "dcd", 3)) { - molfile_dcdplugin_init(); - molfile_dcdplugin_register(NULL, register_cb); |